1348 61 63 0 1 0 0 0 0 0999 V2000 8.0649 -2.1536 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.6829 -2.1536 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1928 1.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9562 0.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5549 1.6956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6269 2.0865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0282 3.1046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3739 -0.0269 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 1.4866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8739 -1.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6829 -0.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3739 -0.0269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0649 -0.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7861 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3739 -3.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3739 -3.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9617 0.7821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7916 0.6776 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2093 1.3820 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3848 -0.2360 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 0.4685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 0.3640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6215 2.1911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 -0.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 -0.6541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -1.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0392 2.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -2.2721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -2.3767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0446 2.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9929 -1.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2493 -0.7258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0924 0.5255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4985 -0.7258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7549 -1.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4387 -3.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7674 -3.2335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9803 -3.2335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3091 -3.7212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 0.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4560 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5737 0.8805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8184 0.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1326 -0.8024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9512 -0.4882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4041 0.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7593 -0.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3206 1.1792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2064 0.5140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8512 0.9825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -0.1525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 -1.2938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8683 3.4915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5964 3.1673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -1.6325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -2.7737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -2.9431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9798 3.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1094 2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4280 2.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 14 2 0 0 0 0 4 17 1 0 0 0 0 4 49 1 0 0 0 0 5 17 2 0 0 0 0 6 23 1 0 0 0 0 6 27 1 0 0 0 0 7 23 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 18 9 1 6 0 0 0 19 9 1 1 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 17 1 6 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 24 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 25 52 1 0 0 0 0 26 29 2 0 0 0 0 26 53 1 0 0 0 0 27 31 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 30 2 0 0 0 0 28 56 1 0 0 0 0 29 30 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 M END > DB01348 > Spirapril > SMP00156 $$$$ 999 25 26 0 0 0 0 0 0 0999 V2000 3.4030 1.2327 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 -0.8020 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7673 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3849 -1.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3850 -1.6622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -0.2881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 1.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4119 0.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0101 1.3372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3368 -0.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 8 13 1 0 0 0 0 8 21 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 22 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 16 2 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 16 23 1 0 0 0 0 M END > DB00999 > Hydrochlorothiazide > SMP00100 $$$$ 175 66 67 0 1 0 0 0 0 0999 V2000 3.7321 1.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4573 -0.9973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3060 -2.5072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8865 -4.0372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1546 -4.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4920 2.0025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 2.0371 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3981 2.5163 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4805 1.0025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5371 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3981 3.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3406 0.4926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 4.0718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 2.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3291 -0.5074 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1893 -1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1777 -2.0173 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 -0.4629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0379 -2.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0263 -3.5272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5919 1.7372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0259 1.6873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 2.8253 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8712 1.1173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 0.4224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.9545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9499 0.3778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5594 1.0727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.6571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 4.6918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7979 1.7009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5742 2.5487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 1.4773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -0.1912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7986 -1.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4080 -0.4372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.6571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6444 -1.7011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4502 -1.6173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6472 -2.6420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2567 -1.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 -0.3803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.0705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 -0.4259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 -1.4998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2988 -3.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -1.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -1.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8793 -4.6571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10 1 1 1 0 0 0 1 23 1 0 0 0 0 15 2 1 6 0 0 0 2 51 1 0 0 0 0 21 3 1 6 0 0 0 3 54 1 0 0 0 0 4 23 2 0 0 0 0 24 5 1 6 0 0 0 5 62 1 0 0 0 0 6 30 1 0 0 0 0 6 66 1 0 0 0 0 7 30 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 6 0 0 0 9 11 1 0 0 0 0 9 12 1 6 0 0 0 9 32 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 11 16 1 0 0 0 0 11 20 1 6 0 0 0 11 34 1 0 0 0 0 12 17 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 16 19 2 0 0 0 0 16 40 1 0 0 0 0 17 21 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 1 0 0 0 25 53 1 0 0 0 0 26 30 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 M END > DB00175 > Pravastatin > SMP00089 $$$$ 1172 69 71 0 1 0 0 0 0 0999 V2000 7.0420 2.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -0.7215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 1.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 2.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -2.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0420 4.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3100 -0.7214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5779 4.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.4536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3101 -4.1856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7119 2.7785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7741 1.2785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5421 -1.5874 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 5.2785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -5.0516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0420 1.2785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1760 -0.2215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1760 0.7785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9080 0.7785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.0420 -0.7215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.9080 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 2.7785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8101 -1.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1760 3.7785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3100 4.2785 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8100 -1.5875 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4439 3.7785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3100 -2.4536 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4439 2.7785 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8101 -3.3196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8100 -3.3195 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5779 2.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 -4.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5790 1.5885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 -0.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6391 0.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4450 0.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6036 -1.1599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5186 -0.1138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1201 -0.8041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7129 3.0885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -1.0506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7129 3.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8469 4.5885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -1.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 3.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.9905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4439 2.1585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7741 1.8985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3110 0.9685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2321 -2.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1620 -1.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 -3.8565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4300 -3.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7730 0.9685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1794 1.8036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9765 1.8036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7849 -3.7870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7849 -4.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7730 5.5885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8469 5.5885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0420 4.8985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -0.7214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5779 4.8985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 -4.1856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1200 -5.5885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1900 -5.0516 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1750 2.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16 1 1 1 0 0 0 22 1 1 1 0 0 0 17 2 1 1 0 0 0 23 2 1 1 0 0 0 18 3 1 6 0 0 0 3 55 1 0 0 0 0 4 22 1 0 0 0 0 4 29 1 0 0 0 0 5 23 1 0 0 0 0 5 31 1 0 0 0 0 24 6 1 1 0 0 0 6 62 1 0 0 0 0 26 7 1 1 0 0 0 7 63 1 0 0 0 0 27 8 1 1 0 0 0 8 64 1 0 0 0 0 28 9 1 6 0 0 0 9 65 1 0 0 0 0 30 10 1 1 0 0 0 10 66 1 0 0 0 0 11 32 1 0 0 0 0 11 69 1 0 0 0 0 19 12 1 6 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 20 13 1 6 0 0 0 13 51 1 0 0 0 0 13 52 1 0 0 0 0 25 14 1 6 0 0 0 14 60 1 0 0 0 0 14 61 1 0 0 0 0 15 33 1 0 0 0 0 15 67 1 0 0 0 0 15 68 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 26 1 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 27 1 0 0 0 0 25 44 1 0 0 0 0 26 28 1 0 0 0 0 26 45 1 0 0 0 0 27 29 1 0 0 0 0 27 46 1 0 0 0 0 28 30 1 0 0 0 0 28 47 1 0 0 0 0 29 32 1 6 0 0 0 29 48 1 0 0 0 0 30 31 1 0 0 0 0 30 53 1 0 0 0 0 31 33 1 6 0 0 0 31 54 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 M END > DB01172 > Kanamycin > SMP00255 $$$$ 595 57 60 0 1 0 0 0 0 0999 V2000 6.9338 1.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -1.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1837 1.8311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -2.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6839 -1.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 0.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 -2.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 -2.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 1.9592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 -0.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 0.4246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7998 0.4246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9338 0.9246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0678 -0.5754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1738 0.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6938 0.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7998 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1838 1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -0.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 1.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7937 1.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3969 1.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 1.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6505 1.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8676 2.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7171 2.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4707 2.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7578 -2.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8675 2.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5238 1.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 1.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 2.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 3.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 2.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 2.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 1.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 -2.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 0.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -0.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 0.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 -2.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 -2.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 1 0 0 0 1 41 1 0 0 0 0 15 2 1 1 0 0 0 2 42 1 0 0 0 0 17 3 1 6 0 0 0 3 43 1 0 0 0 0 4 19 2 0 0 0 0 5 23 1 0 0 0 0 5 51 1 0 0 0 0 6 20 2 0 0 0 0 7 22 2 0 0 0 0 8 30 1 0 0 0 0 8 56 1 0 0 0 0 9 31 1 0 0 0 0 9 57 1 0 0 0 0 16 10 1 1 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 31 1 0 0 0 0 11 54 1 0 0 0 0 11 55 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 1 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 35 1 1 0 0 0 14 36 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 22 1 0 0 0 0 16 37 1 0 0 0 0 17 21 1 0 0 0 0 17 24 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 20 26 1 0 0 0 0 21 25 2 0 0 0 0 21 27 1 0 0 0 0 22 26 1 0 0 0 0 23 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 30 1 0 0 0 0 26 31 2 0 0 0 0 27 32 2 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 30 33 2 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 53 1 0 0 0 0 M END > DB00595 > Oxytetracycline > SMP00293 $$$$ 69 71 0 1 0 0 0 0 0999 V2000 8.0000 -3.0889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4909 -1.2570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -5.6870 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -3.9550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6248 6.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -2.2229 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -3.9550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6248 0.2430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3569 5.2430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6248 5.2430 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -4.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -3.9550 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5000 -5.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -4.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -6.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -5.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7588 -1.2570 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0000 -6.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5341 -1.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7929 -0.9982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 -3.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6248 -0.7570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 -4.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -4.8210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4909 0.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4909 1.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6248 2.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3569 2.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -5.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6248 3.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3569 3.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4909 3.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4909 4.7430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3800 -4.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 -3.4180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0251 -6.0855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0251 -5.2885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8923 -4.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5826 -4.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2507 -1.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1077 -7.1636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4174 -6.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9749 -5.2885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9749 -6.0855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5826 -6.7651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8923 -7.1636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9352 -1.8036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3736 -2.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 -0.3993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1940 -0.8377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1900 -3.4180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5826 -5.0330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8923 -5.4316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0879 0.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1014 0.8507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7029 0.1604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0879 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8938 1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9174 -5.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6077 -5.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0879 3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8938 3.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -7.0900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8938 4.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3569 5.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0879 6.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 22 2 0 0 0 0 3 24 1 0 0 0 0 3 29 1 0 0 0 0 4 24 2 0 0 0 0 5 10 1 0 0 0 0 5 69 1 0 0 0 0 6 17 1 0 0 0 0 6 19 1 0 0 0 0 6 21 1 0 0 0 0 12 7 1 1 0 0 0 7 23 1 0 0 0 0 7 52 1 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 8 55 1 0 0 0 0 9 34 1 0 0 0 0 9 67 1 0 0 0 0 9 68 1 0 0 0 0 10 34 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 12 21 1 0 0 0 0 12 36 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 18 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 1 0 0 0 17 41 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 20 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 25 26 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 30 1 0 0 0 0 27 58 1 0 0 0 0 28 31 2 0 0 0 0 28 59 1 0 0 0 0 29 33 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 32 2 0 0 0 0 30 62 1 0 0 0 0 31 32 1 0 0 0 0 31 63 1 0 0 0 0 32 34 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 M END > DB04898 > Ximelagatran > SMP00279 $$$$ 790 58 59 0 1 0 0 0 0 0999 V2000 6.6284 -1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4228 -4.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4228 -2.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2677 2.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9140 2.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3392 -2.4873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2927 0.1581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 -3.7920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3930 -2.7920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3392 -4.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9228 -3.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5270 -4.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5270 -2.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6609 -3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6609 -2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6499 -1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9228 -3.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9820 -0.7925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0035 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 0.9024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6463 0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 1.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 3.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9105 4.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4777 -4.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4777 -1.9965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8766 -4.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0882 -4.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2045 -2.7397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1284 -4.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9255 -4.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1284 -1.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9255 -1.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4489 -4.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0504 -3.6843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4489 -2.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0504 -2.8997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5680 -0.3310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 0.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1314 -1.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3969 -1.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8757 -0.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0428 -4.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2315 1.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8776 0.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 0.3685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7472 2.0157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5049 1.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 0.6276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 1.1064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 1.8409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9609 4.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1253 3.2557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 3.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4964 4.7535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3720 4.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 1 0 0 0 0 2 45 1 0 0 0 0 3 17 2 0 0 0 0 4 22 1 0 0 0 0 4 25 1 0 0 0 0 5 22 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 18 7 1 6 0 0 0 20 7 1 1 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 27 1 1 0 0 0 9 13 1 0 0 0 0 9 28 1 1 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 17 1 6 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 46 1 0 0 0 0 21 23 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 23 24 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 M END > DB00790 > Perindopril > SMP00152 $$$$ 612 54 54 0 1 0 0 0 0 0999 V2000 5.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -5.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 5.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 4.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -6.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -5.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 37 1 0 0 0 0 3 14 1 0 0 0 0 3 18 1 0 0 0 0 4 15 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 15 40 1 0 0 0 0 16 20 1 0 0 0 0 16 41 1 0 0 0 0 17 21 2 0 0 0 0 17 42 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 M END > DB00612 > Bisoprolol > SMP00300 $$$$ 436 41 43 0 1 0 0 0 0 0999 V2000 4.5981 -1.6802 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.9039 -1.9695 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.6725 -0.0307 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1354 1.2490 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.5438 1.3777 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -2.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -2.5462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6725 -1.3297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1354 -2.6093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1802 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3198 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5438 -2.7380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.1802 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -1.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -1.7148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 0.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.1594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9039 0.6091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.4398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.4902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 0.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.2628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 -2.3348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 0.9744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.5098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3295 -3.3198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1548 -2.6327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 3 22 1 0 0 0 0 4 22 1 0 0 0 0 5 22 1 0 0 0 0 10 13 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 21 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 2 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 23 25 1 0 0 0 0 23 35 1 0 0 0 0 24 26 2 0 0 0 0 24 36 1 0 0 0 0 25 27 2 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 M END > DB00436 > Bendroflumethiazide > SMP00090 $$$$ 524 40 42 0 1 0 0 0 0 0999 V2000 8.9942 1.4641 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.5841 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4976 0.2799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4909 -1.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8583 -1.0875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 1.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 1.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 0.9031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 -1.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 2.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8559 -1.7075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3964 -0.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 12 2 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 26 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 16 2 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 13 18 1 0 0 0 0 13 20 2 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 20 23 1 0 0 0 0 20 32 1 0 0 0 0 21 24 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 M END > DB00524 > Metolazone > SMP00105 $$$$ 492 85 87 0 1 0 0 0 0 0999 V2000 7.1168 1.9172 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 2.3644 1.1082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1278 2.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7657 2.1262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7046 2.7262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3078 2.5050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2869 3.4307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6882 2.4126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9467 0.4037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 -1.1352 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4467 -2.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6377 -0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2558 -0.5474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5807 -2.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3128 -2.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 0.4037 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5807 -3.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3128 -3.6352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4467 -4.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5345 1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3589 1.2127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5290 1.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9258 1.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8213 0.3349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6991 2.6217 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6303 -0.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 1.7081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5258 -1.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5181 0.8991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1004 1.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3348 -1.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2814 3.3262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2484 -1.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2303 -2.8297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8692 4.1352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0574 -2.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0393 -3.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9529 -3.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8637 4.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8943 -1.4166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9837 -1.8252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0713 -0.2952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3277 -1.0843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5658 -1.0843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8221 -0.2952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 -2.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 -2.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 -2.7428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5248 -2.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2282 0.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9701 -3.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3687 -4.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9233 -3.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5248 -4.2178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8453 -4.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0482 -4.6101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3581 0.5122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0863 0.8364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5218 1.1585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1976 1.8866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2253 0.5058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5495 -0.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3157 2.5569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2263 -0.4238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9021 0.3043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3580 1.1417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2540 -1.8047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9298 -1.0765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0197 0.5347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1537 0.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0165 1.2635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1652 2.2202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7170 1.5388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0356 0.9870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3132 -0.8119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6639 -3.0819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0401 4.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3120 4.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6238 -1.7641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9745 -4.0341 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4544 -3.3752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7989 3.4140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4804 3.9658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9286 4.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 22 1 0 0 0 0 1 23 1 0 0 0 0 2 21 1 0 0 0 0 2 61 1 0 0 0 0 3 20 2 0 0 0 0 4 21 2 0 0 0 0 5 25 1 0 0 0 0 7 25 1 0 0 0 0 7 32 1 0 0 0 0 8 32 2 0 0 0 0 9 13 1 0 0 0 0 9 16 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 6 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 40 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 41 1 0 0 0 0 12 16 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 17 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 18 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 21 1 1 0 0 0 16 50 1 0 0 0 0 17 19 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 18 19 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 22 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 24 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 26 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 27 1 0 0 0 0 25 64 1 0 0 0 0 26 28 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 29 1 0 0 0 0 27 30 1 0 0 0 0 27 67 1 0 0 0 0 28 31 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 29 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 31 33 2 0 0 0 0 31 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 33 76 1 0 0 0 0 34 37 2 0 0 0 0 34 77 1 0 0 0 0 35 39 1 0 0 0 0 35 78 1 0 0 0 0 35 79 1 0 0 0 0 36 38 2 0 0 0 0 36 80 1 0 0 0 0 37 38 1 0 0 0 0 37 81 1 0 0 0 0 38 82 1 0 0 0 0 39 83 1 0 0 0 0 39 84 1 0 0 0 0 39 85 1 0 0 0 0 M END > DB00492 > Fosinopril > SMP00149 $$$$ 963 32 33 0 0 0 0 0 0 0999 V2000 2.0000 -1.6550 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 0.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 11 2 0 0 0 0 3 17 1 0 0 0 0 3 32 1 0 0 0 0 4 17 2 0 0 0 0 5 8 1 0 0 0 0 5 26 1 0 0 0 0 5 27 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 2 0 0 0 0 9 17 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 14 2 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 24 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 25 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 16 19 2 0 0 0 0 16 29 1 0 0 0 0 18 20 2 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 M END > DB00963 > Bromfenac > SMP00102 $$$$ 1203 49 50 0 1 0 0 0 0 0999 V2000 2.0000 1.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.4023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4805 0.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4573 -1.6322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1777 -2.6521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9023 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 2.9023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7321 1.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.4023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 1.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0379 -3.1621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 3.4370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3291 -1.1422 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1893 -1.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3406 -0.1423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.8815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 2.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8981 -3.6721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5279 -4.0223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5479 -2.3019 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.9273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.9273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 3.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 3.8772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 4.0569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7958 -0.8260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4080 -1.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7986 -1.7669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6372 -2.9559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5594 0.4378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9499 -0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.5694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 3.2352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5819 -4.2054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4314 -3.9883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2143 -3.1388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9946 -3.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2117 -4.5556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0612 -4.3385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0812 -2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8641 -1.7686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0146 -1.9857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4502 -2.2521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6 1 1 6 0 0 0 1 38 1 0 0 0 0 7 2 1 6 0 0 0 2 39 1 0 0 0 0 3 12 1 0 0 0 0 3 17 1 0 0 0 0 4 15 1 0 0 0 0 4 49 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 11 14 1 0 0 0 0 12 18 2 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 19 2 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 22 48 1 0 0 0 0 M END > DB01203 > Nadolol > SMP00303 $$$$ 722 60 61 0 1 0 0 0 0 0999 V2000 6.8671 0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5043 3.3879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9690 1.7406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 4.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8101 3.0278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5010 3.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1920 3.0278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5010 3.9788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9400 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7611 2.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9070 2.4154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4362 4.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1075 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 2.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6256 3.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8946 4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5658 4.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 3.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 2.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 2.3574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 3.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 4.5226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 3.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0939 3.1963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 18 1 0 0 0 0 2 52 1 0 0 0 0 3 18 2 0 0 0 0 4 22 1 0 0 0 0 4 57 1 0 0 0 0 5 22 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 13 7 1 1 0 0 0 16 7 1 1 0 0 0 7 40 1 0 0 0 0 8 23 1 0 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 9 10 1 0 0 0 0 9 18 1 1 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 19 1 0 0 0 0 16 22 1 0 0 0 0 16 41 1 0 0 0 0 17 20 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 19 21 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 23 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 24 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 55 1 0 0 0 0 26 28 2 0 0 0 0 26 56 1 0 0 0 0 27 29 2 0 0 0 0 27 58 1 0 0 0 0 28 29 1 0 0 0 0 28 59 1 0 0 0 0 29 60 1 0 0 0 0 M END > DB00722 > Lisinopril > SMP00150 $$$$ 281 39 39 0 0 0 0 0 0 0999 V2000 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 3 24 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 11 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 12 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 9 13 1 0 0 0 0 9 15 1 0 0 0 0 10 14 2 0 0 0 0 10 16 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 17 2 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 M END > DB00281 > Lidocaine > SMP00328; SMP00398 $$$$ 994 88 91 0 1 0 0 0 0 0999 V2000 8.0421 -0.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3100 -1.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8216 -0.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3975 2.1788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7741 -1.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8100 -2.3033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9798 1.4743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2695 1.7265 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3101 0.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.4372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2000 4.2149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8920 -0.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3756 2.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6760 -3.8032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7741 -3.4372 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3100 0.2948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2110 4.0059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8101 -4.0353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5566 0.8743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0421 -1.4372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1760 -1.9372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1760 -2.9372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9081 -1.9372 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.9081 -2.9372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0421 -3.4372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9081 0.0628 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9908 1.2652 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0126 1.0573 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4908 0.3992 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3100 -1.4372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.8101 -0.5711 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8100 -0.5711 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3920 2.2833 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3100 -1.4372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8100 -2.3032 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7987 3.1969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.7933 3.3014 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4853 0.2947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3811 2.4924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9743 1.5788 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3100 -3.1693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5621 0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5790 -1.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1760 -1.3172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5772 -2.7767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9081 -1.3172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9081 -3.5572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4406 -3.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6435 -3.9121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3881 0.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6099 1.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4338 0.8351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7129 -0.1796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -0.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4301 -0.5711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -0.5711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1398 1.7169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0560 -3.8032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9860 -4.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -2.8402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3110 -3.1272 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7741 -4.0572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0509 3.7632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3110 -1.7472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4099 3.3662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4420 0.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0869 0.4447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7455 1.9908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7221 1.0124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3984 2.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8351 -3.5678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8351 -2.7708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9300 0.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 0.8318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7330 0.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0049 0.4980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4631 4.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5944 3.9411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 0.2949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8166 4.2797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5086 -0.6837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6278 3.1633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4301 -4.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5001 -4.5723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8088 1.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9211 0.3727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 1 1 6 0 0 0 26 1 1 1 0 0 0 21 2 1 1 0 0 0 30 2 1 1 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 27 4 1 6 0 0 0 33 4 1 6 0 0 0 23 5 1 1 0 0 0 5 65 1 0 0 0 0 6 30 1 0 0 0 0 6 35 1 0 0 0 0 7 33 1 0 0 0 0 7 40 1 0 0 0 0 28 8 1 6 0 0 0 8 71 1 0 0 0 0 32 9 1 6 0 0 0 9 80 1 0 0 0 0 34 10 1 1 0 0 0 10 81 1 0 0 0 0 37 11 1 1 0 0 0 11 82 1 0 0 0 0 12 38 1 0 0 0 0 12 83 1 0 0 0 0 39 13 1 6 0 0 0 13 84 1 0 0 0 0 22 14 1 6 0 0 0 14 58 1 0 0 0 0 14 59 1 0 0 0 0 24 15 1 6 0 0 0 15 62 1 0 0 0 0 15 63 1 0 0 0 0 31 16 1 1 0 0 0 16 74 1 0 0 0 0 16 75 1 0 0 0 0 36 17 1 6 0 0 0 17 78 1 0 0 0 0 17 79 1 0 0 0 0 18 41 1 0 0 0 0 18 85 1 0 0 0 0 18 86 1 0 0 0 0 19 42 1 0 0 0 0 19 87 1 0 0 0 0 19 88 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 24 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 26 28 1 0 0 0 0 26 50 1 0 0 0 0 27 28 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 38 1 1 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 34 1 0 0 0 0 32 56 1 0 0 0 0 33 36 1 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 60 1 0 0 0 0 35 41 1 6 0 0 0 35 61 1 0 0 0 0 36 37 1 0 0 0 0 36 64 1 0 0 0 0 37 39 1 0 0 0 0 37 66 1 0 0 0 0 38 67 1 0 0 0 0 38 68 1 0 0 0 0 39 40 1 0 0 0 0 39 69 1 0 0 0 0 40 42 1 6 0 0 0 40 70 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 M END > DB00994 > Neomycin > SMP00256 $$$$ 991 37 39 0 0 0 0 0 0 0999 V2000 4.7634 0.2961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 3.7412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4543 -0.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0724 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -1.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 0.2961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 1.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0234 -0.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -2.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 2.0186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7666 -0.2949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2313 -1.9422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 -2.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -2.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7176 -0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1824 -2.2512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1294 -3.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3973 -3.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 2.8276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9255 -1.5820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -4.2428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6616 1.4518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7449 0.6591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0963 1.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 2.4646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6377 0.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7706 -2.3570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 -2.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 -2.4328 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1784 -0.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3113 -2.8576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6663 -4.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8604 -4.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5152 -1.7736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2634 -4.8628 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0368 4.2428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 7 1 0 0 0 0 2 20 1 0 0 0 0 2 37 1 0 0 0 0 3 20 2 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 7 8 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 20 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 16 1 0 0 0 0 12 27 1 0 0 0 0 13 17 2 0 0 0 0 13 28 1 0 0 0 0 14 18 1 0 0 0 0 14 29 1 0 0 0 0 15 19 2 0 0 0 0 15 30 1 0 0 0 0 16 21 2 0 0 0 0 16 31 1 0 0 0 0 17 21 1 0 0 0 0 17 32 1 0 0 0 0 18 22 2 0 0 0 0 18 33 1 0 0 0 0 19 22 1 0 0 0 0 19 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END > DB00991 > Oxaprozin > SMP00113 $$$$ 750 36 36 0 1 0 0 0 0 0999 V2000 5.4641 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 20 1 0 0 0 0 3 7 1 0 0 0 0 3 9 1 0 0 0 0 3 26 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 17 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 11 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 16 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 M END > DB00750 > Prilocaine > SMP00401 $$$$ 710 42 41 0 1 0 0 0 0 0999 V2000 5.1432 -2.1168 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4112 -3.1168 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.7772 -3.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0092 -1.6168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6432 -2.9828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5451 -3.6168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9112 -2.2508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9696 -1.1320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4112 -4.1168 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1848 -0.1232 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.2772 -2.6168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7772 -1.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9508 -0.7660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3584 0.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5924 1.5044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7660 2.4892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2451 -0.4652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1736 4.1168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 -1.4725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3517 -2.2018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5334 -0.9780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2608 -0.2290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9411 0.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6684 1.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2824 0.9675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0098 1.7165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3487 2.2772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 3.0261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0330 0.1174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6625 -0.6773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4572 -1.0478 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7772 -4.1028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 3.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0092 -0.9968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2632 -2.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0082 -3.3068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2912 -2.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7842 4.0091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2813 4.7274 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5631 4.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 2 11 1 0 0 0 0 3 11 1 0 0 0 0 3 33 1 0 0 0 0 4 36 1 0 0 0 0 5 37 1 0 0 0 0 6 38 1 0 0 0 0 7 39 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 M END > DB00710 > Ibandronate > SMP00079 $$$$ 892 50 50 0 0 0 0 0 0 0999 V2000 6.0010 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 -5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 -4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -2.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -2.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4776 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9091 -4.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2891 -5.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7751 -3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 -4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 4.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 3.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6210 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3810 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 17 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 19 1 0 0 0 0 5 49 1 0 0 0 0 5 50 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 20 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 18 1 0 0 0 0 15 19 2 0 0 0 0 16 17 1 0 0 0 0 16 18 2 0 0 0 0 16 21 1 0 0 0 0 18 43 1 0 0 0 0 19 22 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 2 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 M END > DB00892 > Oxybuprocaine > SMP00400 $$$$ 908 48 51 0 1 0 0 0 0 0999 V2000 8.3619 0.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0260 1.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3710 -1.9467 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.4959 3.5192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4051 -1.6879 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.6298 0.0192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6639 0.2781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6730 -2.6879 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4876 -3.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1730 -3.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3537 -2.9419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4959 0.5192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7071 -2.4291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4959 1.5192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3619 2.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6298 2.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3619 3.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2558 1.4846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6298 3.0192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2558 3.5539 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1619 1.9984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1619 3.0401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8939 1.9917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6323 -1.4808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2950 -0.4252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0533 0.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7981 0.8834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5921 -2.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9569 -3.7624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8029 -3.9758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6476 -3.8830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5208 -4.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7082 -3.4506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8303 -2.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4959 -0.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5466 -1.8302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3619 -0.6008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4011 -2.9757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1605 -3.7350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0929 1.7092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2487 0.8646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0929 3.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2487 4.1739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6976 3.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2019 1.4536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4321 2.2997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5860 2.5299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 1 38 1 0 0 0 0 2 22 1 0 0 0 0 2 24 1 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 11 1 0 0 0 0 4 18 2 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 25 1 1 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 1 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 6 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 37 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 2 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 21 23 2 0 0 0 0 21 44 1 0 0 0 0 22 23 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 M END > DB00908 > Quinidine > SMP00323 $$$$ 1580 42 42 0 1 0 0 0 0 0999 V2000 6.3301 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -2.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -2.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 33 1 0 0 0 0 3 12 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 2 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 M END > DB01580 > Oxprenolol > SMP00304 $$$$ 887 45 46 0 0 0 0 0 0 0999 V2000 6.7321 2.7601 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7321 2.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7321 2.7601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 -1.2399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3301 0.2601 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -0.6059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7321 3.7601 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8661 -1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -2.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7321 1.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8661 -3.2040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7321 -0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 0.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 1.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3660 -4.0701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4641 -0.2399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5001 2.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 0.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3410 -1.0734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3410 -1.8705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8911 -2.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8911 -1.9395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7460 -0.6059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3410 -2.8055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3410 -3.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7321 -0.8599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1350 1.5701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8291 -3.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9030 -4.3801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0560 -4.6070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1951 4.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2690 4.0701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 0.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8101 3.1631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 0.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1900 3.1631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 -1.5499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 5 20 1 0 0 0 0 5 45 1 0 0 0 0 6 20 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 30 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 14 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 16 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 22 24 2 0 0 0 0 22 41 1 0 0 0 0 23 25 2 0 0 0 0 23 42 1 0 0 0 0 24 25 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 M END > DB00887 > Bumetanide > SMP00088 $$$$ 207 124126 0 1 0 0 0 0 0999 V2000 5.9461 1.3651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1869 -0.2629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0069 1.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5934 1.9003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6869 -1.1290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0254 -3.5745 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5529 1.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3281 3.2672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1869 -0.2629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9794 -5.3362 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8533 -5.0759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4764 -3.0175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 -2.7085 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.6664 4.7535 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7382 0.3869 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6518 -0.0198 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.7382 0.3869 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3209 -0.7629 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8247 -0.0198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1555 -0.7629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6299 -1.7140 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6153 2.1082 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2396 0.7892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1869 -0.2629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7906 1.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6869 0.6031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3062 3.0593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8465 -1.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9754 3.8024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6869 0.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1869 -0.2629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4511 -3.5745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2382 -4.3702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9535 3.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 -4.1623 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6869 -1.1290 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2625 2.6435 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2164 -4.1623 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2895 -0.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5254 -2.7085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6244 -1.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6869 1.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7079 -4.2437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8118 -5.1894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6231 -5.0759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1869 -1.9950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2407 2.4356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6882 4.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3355 5.4966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6176 -5.1804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5529 2.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2906 0.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2709 0.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 -0.1506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8030 0.5998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1891 -0.5214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5767 -0.9851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9676 -1.1940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8069 1.5186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 1.1536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6040 1.2908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7411 0.4248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8769 -0.7999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4097 1.3531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 2.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1714 1.4180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8914 2.5985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3716 -1.3155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4631 -1.7788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3902 4.2632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7946 1.2137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1043 0.8151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4969 -0.7999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8387 -3.4776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5675 3.6808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9752 4.2141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5415 -4.7148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3769 -1.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4541 2.0538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8152 -4.3228 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 0.8877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5995 0.2740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7526 0.0471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9795 -0.7999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6892 -2.2261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2410 -1.5447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5596 -0.9929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0669 1.6031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6869 2.2231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3069 1.6031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2931 -3.7829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2472 -4.6585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1228 -4.7044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3039 -5.5450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1674 -5.6973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3197 -4.8338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0215 -5.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6664 -5.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 -2.4279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -3.2091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 -3.6072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6500 -2.3050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4969 -2.5319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7239 -1.6850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1118 1.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8471 2.3066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3696 3.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1365 3.8569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4969 -0.7999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3805 -5.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2367 -5.1407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5593 4.3550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0818 5.0903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8171 5.5679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8747 5.9115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7504 5.9574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7962 5.0818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5528 -5.7970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2342 -5.2452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6824 -4.5638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1729 2.1031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5529 2.7231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9329 2.1031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 6 0 0 0 22 1 1 1 0 0 0 18 2 1 6 0 0 0 24 2 1 1 0 0 0 17 3 1 1 0 0 0 3 82 1 0 0 0 0 4 22 1 0 0 0 0 4 37 1 0 0 0 0 5 24 1 0 0 0 0 5 36 1 0 0 0 0 6 38 1 0 0 0 0 6 40 1 0 0 0 0 26 7 1 1 0 0 0 7 52 1 0 0 0 0 27 8 1 6 0 0 0 8109 1 0 0 0 0 31 9 1 1 0 0 0 9110 1 0 0 0 0 33 10 1 1 0 0 0 10111 1 0 0 0 0 35 11 1 6 0 0 0 11112 1 0 0 0 0 12 40 2 0 0 0 0 13 28 1 0 0 0 0 13 32 1 0 0 0 0 13 46 1 0 0 0 0 29 14 1 1 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 53 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 0 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 25 1 0 0 0 0 18 21 1 0 0 0 0 18 55 1 0 0 0 0 19 20 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 28 1 0 0 0 0 20 39 1 6 0 0 0 20 58 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 1 0 0 0 21 59 1 0 0 0 0 22 27 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 30 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 30 1 0 0 0 0 26 31 1 0 0 0 0 26 42 1 0 0 0 0 27 29 1 0 0 0 0 27 68 1 0 0 0 0 28 69 1 0 0 0 0 28 70 1 0 0 0 0 29 34 1 0 0 0 0 29 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 31 36 1 0 0 0 0 31 74 1 0 0 0 0 32 35 1 0 0 0 0 32 43 1 1 0 0 0 32 75 1 0 0 0 0 33 35 1 0 0 0 0 33 38 1 0 0 0 0 33 44 1 0 0 0 0 34 37 1 0 0 0 0 34 76 1 0 0 0 0 34 77 1 0 0 0 0 35 78 1 0 0 0 0 36 47 1 6 0 0 0 36 79 1 0 0 0 0 37 48 1 1 0 0 0 37 80 1 0 0 0 0 38 45 1 6 0 0 0 38 81 1 0 0 0 0 39 83 1 0 0 0 0 39 84 1 0 0 0 0 39 85 1 0 0 0 0 41 86 1 0 0 0 0 41 87 1 0 0 0 0 41 88 1 0 0 0 0 42 89 1 0 0 0 0 42 90 1 0 0 0 0 42 91 1 0 0 0 0 43 92 1 0 0 0 0 43 93 1 0 0 0 0 43 94 1 0 0 0 0 44 95 1 0 0 0 0 44 96 1 0 0 0 0 44 97 1 0 0 0 0 45 51 1 0 0 0 0 45 98 1 0 0 0 0 45 99 1 0 0 0 0 46100 1 0 0 0 0 46101 1 0 0 0 0 46102 1 0 0 0 0 47103 1 0 0 0 0 47104 1 0 0 0 0 47105 1 0 0 0 0 48106 1 0 0 0 0 48107 1 0 0 0 0 48108 1 0 0 0 0 49113 1 0 0 0 0 49114 1 0 0 0 0 49115 1 0 0 0 0 50116 1 0 0 0 0 50117 1 0 0 0 0 50118 1 0 0 0 0 51119 1 0 0 0 0 51120 1 0 0 0 0 51121 1 0 0 0 0 52122 1 0 0 0 0 52123 1 0 0 0 0 52124 1 0 0 0 0 M END > DB00207 > Azithromycin > SMP00247 $$$$ 605 42 44 0 1 0 0 0 0 0999 V2000 9.7690 -2.3347 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.0000 1.2454 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 3.1574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 1.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4368 -1.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.0501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 2.0007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -1.5099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.2454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 -1.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 2.2069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5013 -0.9718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 -2.6666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7905 -2.1285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -1.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1226 -2.8728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0796 -3.2852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8344 2.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2411 2.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4409 -1.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.8654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7479 0.2454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.8654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.5646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3087 -0.3824 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7301 -3.1281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8939 -0.7165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3152 -3.4621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7508 3.2852 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4903 -3.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2723 -3.8746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6690 -3.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 22 1 0 0 0 0 1 25 1 0 0 0 0 2 17 1 0 0 0 0 3 19 1 0 0 0 0 3 39 1 0 0 0 0 4 19 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 10 2 0 0 0 0 7 13 1 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 12 2 3 0 0 0 10 14 1 0 0 0 0 11 19 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 18 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 18 1 0 0 0 0 18 34 1 0 0 0 0 20 23 1 0 0 0 0 20 35 1 0 0 0 0 21 24 2 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END > DB00605 > Sulindac > SMP00094 $$$$ 695 32 33 0 0 0 0 0 0 0999 V2000 2.0000 1.8644 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.8644 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6750 -3.2234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 2.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 2.8644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3644 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1356 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.8644 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.8644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0570 -3.2234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -4.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -4.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -1.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.7432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.4456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 -3.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 4.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0016 -4.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 -4.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0544 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 17 1 0 0 0 0 3 21 1 0 0 0 0 6 18 1 0 0 0 0 6 32 1 0 0 0 0 7 18 2 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 25 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 22 1 0 0 0 0 14 17 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 26 1 0 0 0 0 17 19 2 0 0 0 0 19 20 1 0 0 0 0 19 27 1 0 0 0 0 20 21 2 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 M END > DB00695 > Furosemide > SMP00115 $$$$ 1190 60 61 0 1 0 0 0 0 0999 V2000 3.4030 1.8232 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.6768 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.6768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.3232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1056 3.3177 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 0.8232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5837 2.6596 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 2.3232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9146 1.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0837 3.5256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2690 0.3232 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -1.1768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5782 2.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.1768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1350 1.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.6768 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -2.1768 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4030 0.8232 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.3624 3.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1660 3.3641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.3232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1605 3.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.1768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8059 2.0808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4811 2.6609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6046 1.3795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4162 1.5520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6501 3.7778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8921 4.1153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4073 1.9591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1355 2.2833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.7968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.9868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 0.5132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8278 -1.7768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 1.1332 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7773 4.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9017 4.4017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9476 3.5261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3369 3.9601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6088 3.6359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8469 -0.2138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2269 0.8601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7771 3.1947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0957 2.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2254 3.8761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.9868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 -2.7138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -1.8668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 -1.6399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 21 1 0 0 0 0 2 27 1 0 0 0 0 3 14 1 0 0 0 0 3 21 1 0 0 0 0 16 4 1 1 0 0 0 4 52 1 0 0 0 0 18 5 1 1 0 0 0 5 53 1 0 0 0 0 20 6 1 6 0 0 0 6 57 1 0 0 0 0 7 19 2 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 23 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 9 41 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 17 1 6 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 19 1 1 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 1 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 22 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 24 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 42 1 1 0 0 0 22 25 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 26 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 M END > DB01190 > Clindamycin > SMP00249 $$$$ 961 40 41 0 1 0 0 0 0 0999 V2000 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7321 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 3.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 3.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 9 1 0 0 0 0 3 11 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 M END > DB00961 > Mepivacaine > SMP00399 $$$$ 661 71 72 0 1 0 0 0 0 0999 V2000 2.8660 -2.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0981 1.3840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0981 3.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 2.2500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 2.5981 0.5179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5179 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 1.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0981 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5981 0.5179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0981 3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0981 3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0981 3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5981 3.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5981 3.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0981 3.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0981 1.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5981 3.9821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4904 -0.0926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1807 0.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2057 1.9946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5155 1.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6807 1.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9904 0.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 1.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 2.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 1.4810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 2.5549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1807 2.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4904 1.6394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5611 2.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7881 3.6530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6350 3.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2057 3.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5155 3.3281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2881 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2881 4.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.4451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9081 4.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -3.4451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -4.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -4.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0981 2.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0981 0.7640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7181 1.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0611 4.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9081 4.5190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1350 3.6721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 28 1 0 0 0 0 2 23 1 0 0 0 0 2 31 1 0 0 0 0 3 27 1 0 0 0 0 3 32 1 0 0 0 0 4 30 1 0 0 0 0 4 33 1 0 0 0 0 5 12 1 0 0 0 0 5 18 1 0 0 0 0 5 20 1 0 0 0 0 6 15 3 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 15 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 34 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 16 19 1 0 0 0 0 16 47 1 0 0 0 0 17 21 2 0 0 0 0 17 48 1 0 0 0 0 18 22 1 0 0 0 0 18 49 1 0 0 0 0 18 50 1 0 0 0 0 19 23 2 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 23 1 0 0 0 0 21 56 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 57 1 0 0 0 0 26 29 2 0 0 0 0 26 58 1 0 0 0 0 27 30 2 0 0 0 0 28 59 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 30 1 0 0 0 0 29 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 31 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 32 68 1 0 0 0 0 33 69 1 0 0 0 0 33 70 1 0 0 0 0 33 71 1 0 0 0 0 M END > DB00661 > Verapamil > SMP00375 $$$$ 870 30 31 0 1 0 0 0 0 0999 V2000 4.7026 3.5483 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.9462 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7321 -0.9462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.0538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 2.1470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 3.7562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -2.9832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -1.9093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6405 1.5406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 2.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9329 4.3226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.7562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 30 1 0 0 0 0 3 13 2 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 13 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 11 1 0 0 0 0 7 20 1 0 0 0 0 8 12 2 0 0 0 0 8 21 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 18 2 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 M END > DB00870 > Suprofen > SMP00101 $$$$ 393 56 57 0 1 0 0 0 0 0999 V2000 3.7321 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9282 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -3.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -2.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -3.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -2.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 -0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 -0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.6649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 -0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 -1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 24 1 0 0 0 0 2 18 1 0 0 0 0 2 26 1 0 0 0 0 3 16 2 0 0 0 0 4 18 2 0 0 0 0 5 29 1 0 0 0 0 5 30 1 0 0 0 0 6 9 1 0 0 0 0 7 9 2 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 32 1 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 31 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 17 22 1 0 0 0 0 17 33 1 0 0 0 0 19 23 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 25 2 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 29 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 M CHG 2 6 -1 9 1 M END > DB00393 > Nimodipine > SMP00380 $$$$ 328 41 43 0 0 0 0 0 0 0999 V2000 10.6350 2.9768 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 2.8962 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3638 -3.0534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0746 -1.8967 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.2014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.4081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -1.3586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 0.3967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 2.1519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.8967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6995 2.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 -2.1029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0102 3.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3673 1.6138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9887 3.5149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 1.8201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6565 2.7706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1035 -1.8465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 -1.0666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6139 0.3967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 1.0167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -0.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.2067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5961 3.7701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1747 1.0245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1813 4.1042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7599 1.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.6403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9497 -3.5149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 16 1 0 0 0 0 2 25 1 0 0 0 0 3 15 2 0 0 0 0 4 19 1 0 0 0 0 4 41 1 0 0 0 0 5 19 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 19 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 16 2 0 0 0 0 12 28 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 24 1 0 0 0 0 23 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END > DB00328 > Indomethacin > SMP00104 $$$$ 1161 37 37 0 0 0 0 0 0 0999 V2000 2.0000 -1.0950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 1.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 3.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 9 1 0 0 0 0 2 12 1 0 0 0 0 3 12 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 16 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 9 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 10 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 M END > DB01161 > Chloroprocaine > SMP00394 $$$$ 1035 38 38 0 0 0 0 0 0 0999 V2000 2.0000 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 3.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 3.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1121 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3521 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.0950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 3 32 1 0 0 0 0 4 17 1 0 0 0 0 4 37 1 0 0 0 0 4 38 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 9 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 16 2 0 0 0 0 14 34 1 0 0 0 0 15 17 2 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 M END > DB01035 > Procainamide > SMP00324 $$$$ 569 144138 0 1 0 0 0 0 0999 V2000 15.2942 12.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.5622 10.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.8923 8.7679 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 22.3923 14.8301 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.4282 1.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.0263 7.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 25.3923 9.6340 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2320 4.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 4.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 26.8923 8.7679 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 22.3923 16.5622 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 18.8923 5.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 15.2942 0.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 23.3923 7.9019 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 17.0263 4.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.8301 10.0000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 14.4282 13.5000 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 18.8923 13.9641 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 17.0263 9.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8923 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4282 8.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3923 11.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8923 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4282 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2942 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4282 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8923 12.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6961 4.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8923 8.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8924 8.7680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6961 7.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6961 5.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0263 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8923 12.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8923 13.9641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6961 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9641 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8923 10.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3923 13.0981 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.8923 12.2321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4282 12.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.7942 11.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7942 12.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0981 4.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1602 4.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 17.0263 6.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6961 9.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 14.0622 9.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0622 10.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8923 8.7679 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 21.8923 7.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8923 9.7679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8923 15.6962 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 21.5263 15.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2583 14.3301 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4282 0.5000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.4282 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4282 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0263 6.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 19.0263 7.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0263 8.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.8923 8.7679 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 26.2583 10.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5263 9.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3660 5.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7320 3.6340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7320 5.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1602 11.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.8923 13.9641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4282 2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2942 9.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2942 10.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1602 10.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0263 10.0000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.1602 8.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.8923 10.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3923 9.6340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3923 9.6340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4282 7.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8923 10.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4282 5.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5622 7.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3923 11.3660 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5622 6.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3923 11.3660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8923 12.2321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2942 6.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.1602 7.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3923 11.3660 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.3923 13.0981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5622 4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5622 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6961 2.5000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.3923 13.0981 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8301 3.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8301 4.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8923 10.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8923 12.2321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1602 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9641 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8923 13.9641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7573 9.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7573 9.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6972 10.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0263 10.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6972 8.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.5823 11.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7723 9.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0123 9.6340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8913 7.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2023 11.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9651 5.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5622 7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7023 11.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5622 5.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7023 10.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.5823 11.6951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8312 6.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5497 7.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9482 6.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6972 11.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0123 11.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.7023 13.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5622 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5622 2.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1592 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.0823 13.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2932 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8301 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0000 9.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.3097 10.2879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2024 8.2311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.2723 13.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1592 7.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9651 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1592 5.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5656 4.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3626 4.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5823 12.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1592 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9641 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8923 13.3441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.5123 13.9641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.8923 14.5841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 41 1 0 0 0 0 1 42 2 0 0 0 0 1 43 2 0 0 0 0 1 68 1 0 0 0 0 2 24 1 0 0 0 0 2 47 1 0 0 0 0 2 48 2 0 0 0 0 2 49 2 0 0 0 0 3 29 1 0 0 0 0 3 50 1 0 0 0 0 3 51 2 0 0 0 0 3 52 2 0 0 0 0 4 53 1 0 0 0 0 4 54 2 0 0 0 0 4 55 2 0 0 0 0 4 69 1 0 0 0 0 5 56 1 0 0 0 0 5 57 2 0 0 0 0 5 58 2 0 0 0 0 5 70 1 0 0 0 0 6 33 1 0 0 0 0 6 59 1 0 0 0 0 6 60 2 0 0 0 0 6 61 2 0 0 0 0 7 38 1 0 0 0 0 7 62 1 0 0 0 0 7 63 2 0 0 0 0 7 64 2 0 0 0 0 8 44 1 0 0 0 0 8 65 1 0 0 0 0 8 66 2 0 0 0 0 8 67 2 0 0 0 0 19 74 1 0 0 0 0 19 75 1 0 0 0 0 74 20 1 1 0 0 0 76 20 1 6 0 0 0 71 21 1 1 0 0 0 79 21 1 6 0 0 0 22 80 1 0 0 0 0 22 83 1 0 0 0 0 80 23 1 1 0 0 0 85 23 1 1 0 0 0 72 24 1 6 0 0 0 25 79 1 0 0 0 0 25 87 1 0 0 0 0 81 26 1 1 0 0 0 91 26 1 6 0 0 0 27 89 1 0 0 0 0 27 94 1 0 0 0 0 28 91 1 0 0 0 0 28 96 1 0 0 0 0 78 29 1 6 0 0 0 77 30 1 1 0 0 0 30132 1 0 0 0 0 82 31 1 1 0 0 0 31134 1 0 0 0 0 84 32 1 6 0 0 0 32136 1 0 0 0 0 33 88 1 0 0 0 0 86 34 1 6 0 0 0 34139 1 0 0 0 0 94 35 1 1 0 0 0 35101 1 0 0 0 0 93 36 1 1 0 0 0 36140 1 0 0 0 0 95 37 1 6 0 0 0 37141 1 0 0 0 0 38 97 1 0 0 0 0 39 98 1 0 0 0 0 40 98 2 0 0 0 0 44100 1 0 0 0 0 45 99 1 0 0 0 0 46 99 2 0 0 0 0 73 68 1 1 0 0 0 68121 1 0 0 0 0 90 69 1 1 0 0 0 69133 1 0 0 0 0 92 70 1 6 0 0 0 70135 1 0 0 0 0 71 72 1 0 0 0 0 71 75 1 0 0 0 0 71102 1 0 0 0 0 72 73 1 0 0 0 0 72103 1 0 0 0 0 73 74 1 0 0 0 0 73104 1 0 0 0 0 74105 1 0 0 0 0 75 88 1 6 0 0 0 75106 1 0 0 0 0 76 77 1 0 0 0 0 76 83 1 0 0 0 0 76107 1 0 0 0 0 77 78 1 0 0 0 0 77108 1 0 0 0 0 78 80 1 0 0 0 0 78109 1 0 0 0 0 79 82 1 0 0 0 0 79110 1 0 0 0 0 80111 1 0 0 0 0 81 84 1 0 0 0 0 81 87 1 0 0 0 0 81112 1 0 0 0 0 82 84 1 0 0 0 0 82113 1 0 0 0 0 83 98 1 6 0 0 0 83114 1 0 0 0 0 84115 1 0 0 0 0 85 86 1 0 0 0 0 85 89 1 0 0 0 0 85116 1 0 0 0 0 86 90 1 0 0 0 0 86117 1 0 0 0 0 87 99 1 6 0 0 0 87118 1 0 0 0 0 88119 1 0 0 0 0 88120 1 0 0 0 0 89 97 1 6 0 0 0 89122 1 0 0 0 0 90 94 1 0 0 0 0 90123 1 0 0 0 0 91 92 1 0 0 0 0 91124 1 0 0 0 0 92 93 1 0 0 0 0 92125 1 0 0 0 0 93 95 1 0 0 0 0 93126 1 0 0 0 0 94127 1 0 0 0 0 95 96 1 0 0 0 0 95128 1 0 0 0 0 96100 1 1 0 0 0 96129 1 0 0 0 0 97130 1 0 0 0 0 97131 1 0 0 0 0 100137 1 0 0 0 0 100138 1 0 0 0 0 101142 1 0 0 0 0 101143 1 0 0 0 0 101144 1 0 0 0 0 M CHG 8 9 1 10 1 11 1 12 1 13 1 14 1 15 1 16 1 M CHG 8 17 1 18 1 39 -1 41 -1 45 -1 47 -1 50 -1 53 -1 M CHG 4 56 -1 59 -1 62 -1 65 -1 M END > DB00569 > Fondaparinux sodium > SMP00273 $$$$ 1086 23 23 0 0 0 0 0 0 0999 V2000 3.7321 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 22 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 6 9 2 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 15 1 0 0 0 0 9 16 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 21 1 0 0 0 0 M END > DB01086 > Benzocaine > SMP00392 $$$$ 1 483492 0 1 0 0 0 0 0999 V2000 -3.5407 -3.2816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1783 -3.0200 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -2.7943 -3.7358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7971 -3.2786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1780 -2.5566 0.0000 C 0 0 0 0 0 0 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0 0 326328 1 0 0 0 0 329330 1 0 0 0 0 329438 1 0 0 0 0 330332 1 0 0 0 0 331332 2 0 0 0 0 333334 1 0 0 0 0 334336 1 0 0 0 0 334337 1 6 0 0 0 335336 2 0 0 0 0 337338 1 0 0 0 0 338339 1 0 0 0 0 339340 2 0 0 0 0 339341 1 0 0 0 0 342343 1 0 0 0 0 343345 1 0 0 0 0 343346 1 1 0 0 0 344345 2 0 0 0 0 346348 1 0 0 0 0 347348 2 0 0 0 0 347352 1 0 0 0 0 348349 1 0 0 0 0 349350 2 0 0 0 0 350351 1 0 0 0 0 351352 2 0 0 0 0 351353 1 0 0 0 0 354355 1 0 0 0 0 355357 1 0 0 0 0 355358 1 1 0 0 0 356357 2 0 0 0 0 358360 1 0 0 0 0 359360 2 0 0 0 0 359364 1 0 0 0 0 360361 1 0 0 0 0 361362 2 0 0 0 0 362363 1 0 0 0 0 363364 2 0 0 0 0 363365 1 0 0 0 0 366367 1 0 0 0 0 367369 1 0 0 0 0 367370 1 1 0 0 0 368369 2 0 0 0 0 370371 1 0 0 0 0 371372 1 0 0 0 0 371373 1 0 0 0 0 374375 1 0 0 0 0 375377 1 0 0 0 0 375378 1 6 0 0 0 376377 2 0 0 0 0 378379 1 0 0 0 0 380381 1 0 0 0 0 380479 1 0 0 0 0 381383 1 0 0 0 0 381384 1 1 0 0 0 382383 2 0 0 0 0 383455 1 0 0 0 0 384385 1 1 0 0 0 384386 1 0 0 0 0 387388 1 0 0 0 0 388390 1 0 0 0 0 388391 1 1 0 0 0 389390 2 0 0 0 0 390444 1 0 0 0 0 391392 1 6 0 0 0 391393 1 0 0 0 0 393394 1 0 0 0 0 395396 1 0 0 0 0 396398 1 0 0 0 0 396399 1 1 0 0 0 397398 2 0 0 0 0 399400 1 0 0 0 0 400401 2 0 0 0 0 400402 1 0 0 0 0 403404 1 0 0 0 0 404406 1 0 0 0 0 404407 1 6 0 0 0 405406 2 0 0 0 0 407408 1 0 0 0 0 408409 1 0 0 0 0 408410 1 0 0 0 0 411412 1 0 0 0 0 411416 1 0 0 0 0 412414 1 0 0 0 0 412415 1 6 0 0 0 413414 2 0 0 0 0 415417 1 0 0 0 0 416417 1 0 0 0 0 418419 1 0 0 0 0 419421 1 0 0 0 0 419422 1 6 0 0 0 420421 2 0 0 0 0 422423 1 0 0 0 0 423424 1 0 0 0 0 424425 2 0 0 0 0 424426 1 0 0 0 0 427428 1 0 0 0 0 428430 1 0 0 0 0 428431 1 1 0 0 0 429430 2 0 0 0 0 431432 1 0 0 0 0 432433 1 0 0 0 0 432434 1 0 0 0 0 435436 1 0 0 0 0 435458 1 0 0 0 0 436438 1 0 0 0 0 436439 1 1 0 0 0 437438 2 0 0 0 0 439440 1 0 0 0 0 440441 1 0 0 0 0 441442 2 0 0 0 0 441443 1 0 0 0 0 444445 1 0 0 0 0 444449 1 0 0 0 0 445447 1 0 0 0 0 445448 1 6 0 0 0 446447 2 0 0 0 0 448450 1 0 0 0 0 449450 1 0 0 0 0 451452 1 0 0 0 0 452454 1 0 0 0 0 453454 2 0 0 0 0 455456 1 0 0 0 0 456458 1 0 0 0 0 457458 2 0 0 0 0 459460 1 0 0 0 0 460462 1 0 0 0 0 460463 1 6 0 0 0 461462 2 0 0 0 0 463464 1 0 0 0 0 464465 2 0 0 0 0 464466 1 0 0 0 0 467468 1 0 0 0 0 468470 1 0 0 0 0 468471 1 1 0 0 0 469470 2 0 0 0 0 471472 1 0 0 0 0 472473 1 0 0 0 0 473474 2 0 0 0 0 473475 1 0 0 0 0 476477 1 0 0 0 0 477479 1 0 0 0 0 477480 1 6 0 0 0 478479 2 0 0 0 0 480481 1 0 0 0 0 480482 1 0 0 0 0 M END > DB00001 > Lepirudin > SMP00278 $$$$ 208 31 33 0 1 0 0 0 0 0999 V2000 2.8660 1.5000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -1.3047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 0.3047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 0.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3460 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 4 6 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 13 1 0 0 0 0 10 14 2 0 0 0 0 11 12 2 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 13 15 2 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 M END > DB00208 > Ticlopidine > SMP00261 $$$$ 881 62 64 0 1 0 0 0 0 0999 V2000 3.7321 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 3.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 3.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 3.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 3.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 0.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 3.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 1.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 -2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 16 1 0 0 0 0 2 52 1 0 0 0 0 3 16 2 0 0 0 0 4 24 1 0 0 0 0 4 28 1 0 0 0 0 5 24 2 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 13 7 1 6 0 0 0 15 7 1 1 0 0 0 7 40 1 0 0 0 0 8 9 1 0 0 0 0 8 16 1 6 0 0 0 8 33 1 0 0 0 0 9 11 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 12 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 18 2 0 0 0 0 12 19 2 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 13 38 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 15 39 1 0 0 0 0 17 21 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 19 23 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 25 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 26 53 1 0 0 0 0 27 30 2 0 0 0 0 27 54 1 0 0 0 0 28 32 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 31 2 0 0 0 0 29 57 1 0 0 0 0 30 31 1 0 0 0 0 30 58 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 M END > DB00881 > Quinapril > SMP00153 $$$$ 594 23 23 0 0 0 0 0 0 0999 V2000 7.7331 -0.0950 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 2 14 2 0 0 0 0 3 11 1 0 0 0 0 3 12 2 0 0 0 0 4 10 1 0 0 0 0 4 13 2 0 0 0 0 5 11 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 14 1 0 0 0 0 6 15 2 0 0 0 0 7 12 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 15 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 15 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 12 13 1 0 0 0 0 M END > DB00594 > Amiloride > SMP00133 $$$$ 1225 112115 0 1 0 0 0 0 0999 V2000 6.3301 3.3450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 4.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 2.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 2.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 -0.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 -2.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9904 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9904 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 0.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -0.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 0.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 -0.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 0.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 1.8450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2583 0.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -1.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2583 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1244 -0.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1244 1.8450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -2.6550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9904 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -3.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -2.6550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 -1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 -1.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6104 4.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3704 4.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 26 2 0 0 0 0 1 27 2 0 0 0 0 1 43 1 0 0 0 0 2 11 1 0 0 0 0 2 28 1 0 0 0 0 2 29 2 0 0 0 0 2 30 2 0 0 0 0 3 14 1 0 0 0 0 3 31 1 0 0 0 0 3 33 2 0 0 0 0 3 34 2 0 0 0 0 4 17 1 0 0 0 0 4 36 1 0 0 0 0 4 38 2 0 0 0 0 4 39 2 0 0 0 0 5 22 1 0 0 0 0 5 40 1 0 0 0 0 5 41 2 0 0 0 0 5 42 2 0 0 0 0 6 48 1 0 0 0 0 6 49 1 0 0 0 0 7 48 1 0 0 0 0 7 50 1 0 0 0 0 8 47 1 0 0 0 0 8 56 1 0 0 0 0 9 53 1 0 0 0 0 9 54 1 0 0 0 0 10 53 1 0 0 0 0 10 55 1 0 0 0 0 11 46 1 0 0 0 0 12 58 1 0 0 0 0 12 63 1 0 0 0 0 13 56 1 0 0 0 0 13 65 1 0 0 0 0 14 52 1 0 0 0 0 15 51 1 0 0 0 0 15 96 1 0 0 0 0 16 57 1 0 0 0 0 16 98 1 0 0 0 0 17 61 1 0 0 0 0 18 60 1 0 0 0 0 18 99 1 0 0 0 0 19 62 1 0 0 0 0 19100 1 0 0 0 0 20 63 1 0 0 0 0 20101 1 0 0 0 0 21 64 1 0 0 0 0 21102 1 0 0 0 0 22 67 1 0 0 0 0 23 66 1 0 0 0 0 23103 1 0 0 0 0 24104 1 0 0 0 0 25 66 2 0 0 0 0 28105 1 0 0 0 0 31109 1 0 0 0 0 32 68 1 0 0 0 0 32110 1 0 0 0 0 35 68 2 0 0 0 0 36111 1 0 0 0 0 37 69 2 0 0 0 0 40112 1 0 0 0 0 43 45 1 0 0 0 0 43 85 1 0 0 0 0 44 59 1 0 0 0 0 44 69 1 0 0 0 0 44 97 1 0 0 0 0 45 46 1 0 0 0 0 45 48 1 0 0 0 0 45 71 1 0 0 0 0 46 47 1 0 0 0 0 46 72 1 0 0 0 0 47 49 1 0 0 0 0 47 73 1 0 0 0 0 48 74 1 0 0 0 0 49 60 1 0 0 0 0 49 75 1 0 0 0 0 50 51 1 0 0 0 0 50 54 1 0 0 0 0 50 76 1 0 0 0 0 51 52 1 0 0 0 0 51 77 1 0 0 0 0 52 53 1 0 0 0 0 52 78 1 0 0 0 0 53 79 1 0 0 0 0 54 66 1 0 0 0 0 54 80 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 55 81 1 0 0 0 0 56 61 1 0 0 0 0 56 82 1 0 0 0 0 57 59 1 0 0 0 0 57 83 1 0 0 0 0 58 67 1 0 0 0 0 58 84 1 0 0 0 0 59 63 1 0 0 0 0 59 86 1 0 0 0 0 60 87 1 0 0 0 0 60 88 1 0 0 0 0 61 62 1 0 0 0 0 61 89 1 0 0 0 0 62 64 1 0 0 0 0 62 90 1 0 0 0 0 63 91 1 0 0 0 0 64 65 1 0 0 0 0 64 92 1 0 0 0 0 65 68 1 0 0 0 0 65 93 1 0 0 0 0 67 94 1 0 0 0 0 67 95 1 0 0 0 0 69 70 1 0 0 0 0 70106 1 0 0 0 0 70107 1 0 0 0 0 70108 1 0 0 0 0 M END > DB01225 > Enoxaparin > SMP00272 $$$$ 1136 56 59 0 1 0 0 0 0 0999 V2000 5.3923 2.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7523 0.5036 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0743 -3.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1134 -3.8403 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 5.6694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0733 -0.9981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 4.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 4.1306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 5.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 5.0816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7328 0.7002 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.0528 1.6476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3933 -0.0507 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 5.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 3.3458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 3.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 5.3139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 4.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7338 -1.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 3.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4138 -2.6963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7543 -4.3946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7738 -4.5912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4148 -5.1454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4539 -5.5386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0948 -6.0928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1143 -6.2894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1329 -4.0369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3233 1.1657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 6.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4402 2.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5969 1.3502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7807 0.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9374 -0.3480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 5.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 2.7584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1459 3.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 5.9057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4654 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 4.6764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1212 -1.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2779 -2.0463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 3.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 4.6764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0265 -3.1805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8698 -2.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5540 -0.0838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0227 -5.0235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8460 -5.6605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5043 -6.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9159 -6.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0110 -3.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2548 -4.6448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5250 -4.1588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 12 1 0 0 0 0 2 49 1 0 0 0 0 3 23 1 0 0 0 0 3 24 1 0 0 0 0 4 25 1 0 0 0 0 4 30 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 32 1 0 0 0 0 6 14 1 0 0 0 0 6 20 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 16 2 0 0 0 0 9 15 1 0 0 0 0 10 18 2 0 0 0 0 11 17 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 31 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 19 2 0 0 0 0 15 37 1 0 0 0 0 16 21 1 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 22 1 0 0 0 0 18 40 1 0 0 0 0 19 42 1 0 0 0 0 20 23 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 21 22 2 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 25 27 2 0 0 0 0 26 28 1 0 0 0 0 26 50 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 29 2 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 M END > DB01136 > Carvedilol > SMP00367 $$$$ 759 56 59 0 1 0 0 0 0 0999 V2000 6.0678 1.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1837 -1.8311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 2.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6839 1.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 2.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 2.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -1.9592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.4246 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7998 -0.4246 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.9338 -0.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 0.5754 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1738 -0.9593 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6938 -0.9593 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7998 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1838 -1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 -2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 0.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0726 -1.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7951 -1.0446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 -1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 -1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 -1.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6505 -1.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7171 -2.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8676 -2.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7578 2.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8675 -2.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5238 -1.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -1.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 -2.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -3.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 -2.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 -2.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 -1.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 2.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -0.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 0.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 -0.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 2.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 2.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 41 1 0 0 0 0 2 16 1 0 0 0 0 2 42 1 0 0 0 0 3 18 2 0 0 0 0 4 22 1 0 0 0 0 4 50 1 0 0 0 0 5 19 2 0 0 0 0 6 21 2 0 0 0 0 7 29 1 0 0 0 0 7 55 1 0 0 0 0 8 30 1 0 0 0 0 8 56 1 0 0 0 0 9 15 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 30 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 15 37 1 0 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 19 25 1 0 0 0 0 20 23 2 0 0 0 0 20 26 1 0 0 0 0 21 25 1 0 0 0 0 22 23 1 0 0 0 0 23 29 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 30 2 0 0 0 0 26 31 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 32 2 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 M END > DB00759 > Tetracycline > SMP00294 $$$$ 788 31 32 0 1 0 0 0 0 0999 V2000 9.5312 1.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5173 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1350 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7610 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7610 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6671 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3991 1.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -0.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -1.5173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6490 -1.5173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7538 -1.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7538 2.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2028 -0.3502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0912 0.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9372 0.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7070 1.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 15 1 0 0 0 0 2 28 1 0 0 0 0 3 15 2 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 4 18 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 12 16 2 0 0 0 0 12 25 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 16 1 0 0 0 0 16 27 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 M END > DB00788 > Naproxen > SMP00120 $$$$ 542 59 61 0 1 0 0 0 0 0999 V2000 8.2800 -1.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4227 2.7743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9832 2.0228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5771 -3.3185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9443 -1.7062 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1155 0.2209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0825 -2.4369 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.6816 -0.6801 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6816 -0.6801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0581 -1.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5521 1.0471 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3051 -1.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2806 -2.4369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1816 -2.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5549 0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9916 1.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8644 -3.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9860 1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4110 -3.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2754 -3.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9944 1.7239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4809 -4.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4193 -4.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7952 -2.6950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5605 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 2.5501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8566 3.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5633 0.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4339 2.4754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2933 4.5015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2977 -0.6107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8195 -0.0756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1230 -0.4111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6715 -0.9772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4995 -1.7309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1704 1.0934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7337 0.2672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7079 0.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9898 0.7174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8386 2.3994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5567 2.0536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1877 -3.5894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3995 -3.4706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8556 -2.7348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8371 -4.1707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9672 -4.3969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4680 -5.1196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9098 0.3107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7001 3.1087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3004 4.1082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3600 3.3134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2943 0.1896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0846 2.9877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3817 1.5281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8055 4.8508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7810 4.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 5.0138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1542 -3.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 18 1 0 0 0 0 2 27 1 0 0 0 0 3 18 2 0 0 0 0 4 24 1 0 0 0 0 4 59 1 0 0 0 0 5 24 2 0 0 0 0 8 6 1 6 0 0 0 11 6 1 1 0 0 0 6 38 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 13 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 11 37 1 0 0 0 0 13 14 1 0 0 0 0 13 19 2 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 21 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 24 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 19 22 1 0 0 0 0 19 45 1 0 0 0 0 20 23 1 0 0 0 0 20 46 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 23 2 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 25 28 1 0 0 0 0 25 49 1 0 0 0 0 26 29 2 0 0 0 0 26 50 1 0 0 0 0 27 31 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 28 30 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 M END > DB00542 > Benazepril > SMP00145 $$$$ 691 70 72 0 1 0 0 0 0 0999 V2000 3.7321 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8603 3.3691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8603 1.3209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8450 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0901 3.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.8658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.8242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8564 4.3691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8564 0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 3.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 3.8199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.8701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 3.9996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 0.6904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 0.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -3.2376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 4.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 4.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8540 4.9891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4764 4.3715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4764 0.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8540 -0.2991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2364 0.3232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 -2.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -3.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -4.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 19 1 0 0 0 0 2 54 1 0 0 0 0 3 23 1 0 0 0 0 3 30 1 0 0 0 0 4 24 1 0 0 0 0 4 31 1 0 0 0 0 5 19 2 0 0 0 0 6 26 1 0 0 0 0 6 32 1 0 0 0 0 7 26 2 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 15 9 1 6 0 0 0 17 9 1 1 0 0 0 9 44 1 0 0 0 0 10 11 1 0 0 0 0 10 19 1 6 0 0 0 10 37 1 0 0 0 0 11 13 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 14 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 20 2 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 15 42 1 0 0 0 0 17 21 1 0 0 0 0 17 26 1 0 0 0 0 17 43 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 21 25 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 25 27 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 33 1 0 0 0 0 28 55 1 0 0 0 0 29 34 2 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 36 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 35 2 0 0 0 0 33 65 1 0 0 0 0 34 35 1 0 0 0 0 34 66 1 0 0 0 0 35 67 1 0 0 0 0 36 68 1 0 0 0 0 36 69 1 0 0 0 0 36 70 1 0 0 0 0 M END > DB00691 > Moexipril > SMP00151 $$$$ 907 43 45 0 1 0 0 0 0 0999 V2000 5.4641 -0.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4026 -2.1834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7084 -2.5435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5105 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3010 2.2955 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 8.7788 0.3469 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0376 1.3129 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2437 -0.8962 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6108 -0.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8696 0.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 0.5051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4895 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8010 3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -1.8743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6106 -3.1615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8678 -0.2666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0092 0.6935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7618 -1.2864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3987 -0.9945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2021 -0.5983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4609 0.3676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0817 1.1367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3324 1.1166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8149 0.4862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8102 -0.1518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 2.8515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4910 3.6984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3380 3.4715 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2170 -3.0326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7395 -3.7680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0041 -3.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 1 0 0 0 1 15 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 14 2 0 0 0 0 4 15 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 24 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 1 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 M END > DB00907 > Cocaine > SMP00395 $$$$ 407 112115 0 1 0 0 0 0 0999 V2000 6.3301 3.3450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 4.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 2.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 2.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 -0.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 -2.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9904 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9904 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 0.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -0.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 0.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 -0.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 0.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 1.8450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2583 0.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -1.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2583 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1244 -0.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1244 1.8450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -2.6550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9904 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -3.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -2.6550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 15.6104 4.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3704 4.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 26 2 0 0 0 0 1 27 2 0 0 0 0 1 43 1 0 0 0 0 2 11 1 0 0 0 0 2 28 1 0 0 0 0 2 29 2 0 0 0 0 2 30 2 0 0 0 0 3 14 1 0 0 0 0 3 31 1 0 0 0 0 3 33 2 0 0 0 0 3 34 2 0 0 0 0 4 17 1 0 0 0 0 4 36 1 0 0 0 0 4 38 2 0 0 0 0 4 39 2 0 0 0 0 5 22 1 0 0 0 0 5 40 1 0 0 0 0 5 41 2 0 0 0 0 5 42 2 0 0 0 0 6 48 1 0 0 0 0 6 49 1 0 0 0 0 7 48 1 0 0 0 0 7 50 1 0 0 0 0 8 47 1 0 0 0 0 8 56 1 0 0 0 0 9 53 1 0 0 0 0 9 54 1 0 0 0 0 10 53 1 0 0 0 0 10 55 1 0 0 0 0 11 46 1 0 0 0 0 12 58 1 0 0 0 0 12 63 1 0 0 0 0 13 56 1 0 0 0 0 13 65 1 0 0 0 0 14 52 1 0 0 0 0 15 51 1 0 0 0 0 15 96 1 0 0 0 0 16 57 1 0 0 0 0 16 98 1 0 0 0 0 17 61 1 0 0 0 0 18 60 1 0 0 0 0 18 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3.7321 1.5346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4641 1.5346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 2.5346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 3.0346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 1.5346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.0346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4001 -0.0403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0567 -0.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0741 3.4743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.5346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7566 2.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 5.5346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 1.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7461 -1.6321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 6.0346 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0622 7.0346 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 4.0346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 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0 0 0 0 0 0 0 3.4030 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 -1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 -2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -0.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 0.0477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1225 -2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 -3.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6910 -1.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3110 -2.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.3200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 -4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 41 1 0 0 0 0 2 20 1 0 0 0 0 2 46 1 0 0 0 0 3 24 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 28 1 0 0 0 0 5 24 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 14 37 1 0 0 0 0 15 19 2 0 0 0 0 15 38 1 0 0 0 0 16 21 1 0 0 0 0 16 39 1 0 0 0 0 17 22 2 0 0 0 0 17 40 1 0 0 0 0 18 20 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 21 23 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 M END > DB00598 > Labetalol > SMP00368 $$$$ 302 26 26 0 0 0 0 0 0 0999 V2000 4.2690 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 1.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 0.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 26 1 0 0 0 0 2 11 2 0 0 0 0 3 10 1 0 0 0 0 3 24 1 0 0 0 0 3 25 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 M END > DB00302 > Tranexamic Acid > SMP00287 $$$$ 62 62 0 1 0 0 0 0 0999 V2000 8.0622 5.8170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 4.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 6.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6830 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 5.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 6.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -1.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -2.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -0.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -3.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -3.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -3.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7195 0.7093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1181 1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -5.2656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -4.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -2.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -4.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -5.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -6.7656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -6.0754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 -3.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 -3.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -6.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -7.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -6.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 5.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 5.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 6.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 6.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 26 1 0 0 0 0 2 15 1 0 0 0 0 2 56 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 6 25 1 0 0 0 0 6 59 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 10 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 13 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 19 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 17 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 23 1 0 0 0 0 20 51 1 0 0 0 0 21 24 2 0 0 0 0 21 52 1 0 0 0 0 22 53 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 25 2 0 0 0 0 23 57 1 0 0 0 0 24 25 1 0 0 0 0 24 58 1 0 0 0 0 26 60 1 0 0 0 0 26 61 1 0 0 0 0 26 62 1 0 0 0 0 M END > DB00308 > Ibutilide > SMP00332 $$$$ 554 36 38 0 1 0 0 0 0 0999 V2000 7.1962 -1.3170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -2.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8170 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 -1.3516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9561 0.7177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.8378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 0.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 -1.9716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -1.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.7801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9490 1.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 -1.1499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3979 0.5159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 9 1 0 0 0 0 4 12 2 0 0 0 0 5 16 1 0 0 0 0 5 32 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 16 1 0 0 0 0 7 19 1 0 0 0 0 7 31 1 0 0 0 0 8 19 1 0 0 0 0 8 22 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 16 2 0 0 0 0 13 17 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 15 18 1 0 0 0 0 15 28 1 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 M END > DB00554 > Piroxicam > SMP00077 $$$$ 1076 76 79 0 1 0 0 0 0 0999 V2000 10.1755 -4.8965 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5133 -1.2358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8191 -0.8756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2578 1.3468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 1.1317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1249 -0.5155 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3665 -0.3087 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8565 2.3649 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6755 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4154 -0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -0.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0877 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6723 0.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6755 0.6423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9845 -0.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7212 -0.2576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9781 0.4115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -1.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4944 2.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0932 1.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9356 -0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 0.1025 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2633 1.4514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2839 0.7716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 -2.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3095 -2.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6787 0.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1435 -1.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 -3.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3095 -3.3965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6298 -0.2576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0945 -1.9049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1755 -3.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4443 3.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3328 0.4626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8377 -1.2358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0376 4.0875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4388 3.0694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6254 4.8965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0266 3.8784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6199 4.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7065 -1.1652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9268 -0.9994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7043 1.5162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3812 0.5988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1608 0.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1315 -0.4492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6870 0.9589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4666 0.7932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0608 2.1127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7466 2.9313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9280 2.6171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0284 1.9634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4766 1.2820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 0.7302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4878 -0.3124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9928 1.3191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7724 1.1533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5784 -2.0865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7725 -2.0865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 -1.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5498 0.6579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6827 -2.0107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2399 2.4297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5784 -3.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7725 -3.7065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 -1.0672 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0905 0.1573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2234 -2.5113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4273 -1.4273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4210 4.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6910 2.5030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3732 5.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6432 3.8136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9843 5.2936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 16 2 1 1 0 0 0 2 61 1 0 0 0 0 22 3 1 1 0 0 0 3 67 1 0 0 0 0 4 23 2 0 0 0 0 5 35 1 0 0 0 0 5 73 1 0 0 0 0 6 35 2 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 23 1 0 0 0 0 8 34 1 0 0 0 0 8 64 1 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 10 13 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 15 2 0 0 0 0 11 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 12 44 1 0 0 0 0 13 16 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 15 1 0 0 0 0 14 23 1 0 0 0 0 15 21 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 17 22 1 0 0 0 0 17 48 1 0 0 0 0 17 49 1 0 0 0 0 18 25 2 0 0 0 0 18 26 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 24 1 0 0 0 0 22 56 1 0 0 0 0 24 35 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 29 1 0 0 0 0 25 59 1 0 0 0 0 26 30 2 0 0 0 0 26 60 1 0 0 0 0 27 31 1 0 0 0 0 27 62 1 0 0 0 0 28 32 2 0 0 0 0 28 63 1 0 0 0 0 29 33 2 0 0 0 0 29 65 1 0 0 0 0 30 33 1 0 0 0 0 30 66 1 0 0 0 0 31 36 2 0 0 0 0 31 68 1 0 0 0 0 32 36 1 0 0 0 0 32 69 1 0 0 0 0 34 37 2 0 0 0 0 34 38 1 0 0 0 0 36 70 1 0 0 0 0 37 39 1 0 0 0 0 37 71 1 0 0 0 0 38 40 2 0 0 0 0 38 72 1 0 0 0 0 39 41 2 0 0 0 0 39 74 1 0 0 0 0 40 41 1 0 0 0 0 40 75 1 0 0 0 0 41 76 1 0 0 0 0 M END > DB01076 > Atorvastatin > SMP00131 $$$$ 280 54 55 0 1 0 0 0 0 0999 V2000 7.5000 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 -0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0000 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8660 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1340 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1077 -0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4174 -0.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3923 1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0826 1.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6900 1.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 -1.1760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 1.7321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0369 2.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8100 3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9631 2.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8660 -1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4030 -0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4030 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5970 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 11 1 0 0 0 0 3 24 2 0 0 0 0 4 12 1 0 0 0 0 4 47 1 0 0 0 0 4 48 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 30 1 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 9 31 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 19 2 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 20 1 0 0 0 0 17 44 1 0 0 0 0 18 21 2 0 0 0 0 18 45 1 0 0 0 0 19 22 1 0 0 0 0 19 46 1 0 0 0 0 20 23 2 0 0 0 0 20 49 1 0 0 0 0 21 23 1 0 0 0 0 21 50 1 0 0 0 0 22 25 2 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 24 25 1 0 0 0 0 24 53 1 0 0 0 0 25 54 1 0 0 0 0 M END > DB00280 > Disopyramide > SMP00325 $$$$ 975 76 79 0 0 0 0 0 0 0999 V2000 12.9972 0.5514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2536 3.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6155 -2.0174 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.0172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 -0.5036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 1.0519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3972 1.0414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7437 -2.5073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4757 -2.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7322 -3.5072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4641 -3.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 3.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5923 -4.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6270 -1.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5331 0.5380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 0.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3933 2.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 1.0481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2574 2.5447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.9828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1319 -2.6079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5384 -1.9223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6944 -1.9472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0849 -2.6421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 2.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 1.9346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 1.9346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 2.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5134 -4.0874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1229 -3.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0759 -3.4267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6694 -4.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9451 4.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3437 3.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 3.4096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 4.0998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9854 -4.4968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1883 -4.4875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 4.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 4.4922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6655 0.0713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8684 0.0682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7832 1.9314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1790 2.6232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -1.8751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -2.5654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -0.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -0.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7289 1.5215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5259 1.5245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8676 2.6547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4717 1.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -2.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -1.9002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -1.4577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -1.4577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5329 0.8635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7893 3.8568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 1 73 1 0 0 0 0 2 34 1 0 0 0 0 2 74 1 0 0 0 0 3 35 1 0 0 0 0 3 75 1 0 0 0 0 4 36 1 0 0 0 0 4 76 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 5 23 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 24 1 0 0 0 0 7 23 2 0 0 0 0 7 27 1 0 0 0 0 8 24 2 0 0 0 0 8 28 1 0 0 0 0 9 25 1 0 0 0 0 9 27 2 0 0 0 0 10 26 1 0 0 0 0 10 28 2 0 0 0 0 11 27 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 28 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 17 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 18 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 19 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 20 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 21 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 21 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 22 1 0 0 0 0 19 49 1 0 0 0 0 19 50 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 21 54 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 26 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 29 33 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 34 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 35 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 36 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 33 65 1 0 0 0 0 33 66 1 0 0 0 0 34 67 1 0 0 0 0 34 68 1 0 0 0 0 35 69 1 0 0 0 0 35 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 M END > DB00975 > Dipyridamole > SMP00264 $$$$ 213 41 43 0 1 0 0 0 0 0999 V2000 8.8600 -0.0000 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2763 0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2763 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -1.7321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3600 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 -1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 1.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7773 -1.0781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4676 -1.4766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 1.3941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9800 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1700 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3969 1.4221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1700 2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3230 2.0421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9800 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 1.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3600 0.2460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 18 1 0 0 0 0 4 24 1 0 0 0 0 5 19 1 0 0 0 0 5 25 1 0 0 0 0 7 21 1 0 0 0 0 7 26 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 29 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 15 2 0 0 0 0 10 23 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 21 2 0 0 0 0 19 20 1 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 M END > DB00213 > Pantoprazole > SMP00228 $$$$ 945 21 21 0 0 0 0 0 0 0999 V2000 3.7321 -0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 21 1 0 0 0 0 3 11 2 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 7 2 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 12 13 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 M END > DB00945 > Aspirin > SMP00083 $$$$ 195 51 52 0 1 0 0 0 0 0999 V2000 3.3660 -3.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 1.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 3.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 4.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -5.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -4.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 -1.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.1830 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9641 3.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 5.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 2.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 0.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 4.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 6.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0989 -5.1565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5826 -5.9710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1077 -6.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8923 -6.7936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4174 -5.9710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8894 -4.4246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2879 -3.7344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7554 -2.9246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -2.2344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8426 -2.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4441 -2.8996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 3.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5747 3.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1762 3.1004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2932 5.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4272 4.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7087 2.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3101 1.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -1.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -1.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0062 5.2199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2331 4.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3862 4.1461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4501 6.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2101 6.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 6.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 4.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 12 1 0 0 0 0 3 51 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 38 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 23 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 37 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 21 1 0 0 0 0 16 41 1 0 0 0 0 17 22 2 0 0 0 0 17 42 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 M END > DB00195 > Betaxolol > SMP00299 $$$$ 199 118120 0 1 0 0 0 0 0999 V2000 5.7321 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7321 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4909 -2.9664 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7321 -2.8665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7321 2.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7321 2.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.0617 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1980 1.7224 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9661 1.2404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2321 -2.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7321 0.5976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 -2.8665 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7321 -1.1345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2321 -0.2685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2321 -2.0005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7321 0.5976 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2321 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2321 1.4636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7321 -1.1345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2321 -2.0005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2321 1.4636 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 2.3296 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2321 -0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 -2.0005 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2321 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.8665 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5249 -2.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 3.1956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2321 -0.2685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2321 1.4636 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2321 -3.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 3.1956 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7321 0.5976 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7321 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2321 -3.7326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7321 2.3296 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2321 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7321 2.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7321 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2321 -0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0512 0.8900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2321 3.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7321 4.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7321 -4.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 -3.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7321 4.0617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4221 -0.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5421 -0.8054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4221 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1244 -2.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8147 -2.2126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6121 1.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7321 -0.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9221 -1.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9221 0.9266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2321 0.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8521 -0.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2321 -0.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6121 -2.0005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6494 1.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3397 0.8530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 -2.3296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0865 -2.2692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0865 -3.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9633 -3.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6121 3.1956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5421 -0.8054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3397 -4.3432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6494 -3.9446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8521 3.1956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2571 0.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8521 -3.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4221 2.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0897 -3.1269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2690 2.6396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4221 2.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1951 2.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7321 -0.5145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1121 -1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7321 -1.7545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 1.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 2.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2321 -0.8885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8521 -0.2685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2321 0.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4068 1.3979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5591 0.5344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6956 0.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7070 2.7971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7070 3.5942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1951 4.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0421 4.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 3.7517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2690 -4.2886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0421 -5.1355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1951 -4.9086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1121 -1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 4.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3584 2.3213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3645 1.7153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -4.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9221 -4.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6951 -3.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -1.6905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9221 -1.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6951 -2.3105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2690 4.3717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1951 3.7517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4221 4.5986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 6 0 0 0 22 1 1 6 0 0 0 18 2 1 6 0 0 0 23 2 1 1 0 0 0 17 3 1 1 0 0 0 3 79 1 0 0 0 0 4 22 1 0 0 0 0 4 37 1 0 0 0 0 5 23 1 0 0 0 0 5 34 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 24 7 1 1 0 0 0 7 51 1 0 0 0 0 26 8 1 1 0 0 0 8103 1 0 0 0 0 30 9 1 1 0 0 0 9104 1 0 0 0 0 32 10 1 1 0 0 0 10105 1 0 0 0 0 35 11 1 1 0 0 0 11106 1 0 0 0 0 12 36 2 0 0 0 0 13 39 2 0 0 0 0 28 14 1 6 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 52 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 6 0 0 0 16 53 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 54 1 0 0 0 0 19 21 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 1 0 0 0 20 57 1 0 0 0 0 21 36 1 0 0 0 0 21 41 1 1 0 0 0 21 58 1 0 0 0 0 22 26 1 0 0 0 0 22 59 1 0 0 0 0 23 27 1 0 0 0 0 23 60 1 0 0 0 0 24 27 1 0 0 0 0 24 30 1 0 0 0 0 24 42 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 28 1 0 0 0 0 26 64 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 33 1 0 0 0 0 28 67 1 0 0 0 0 29 68 1 0 0 0 0 29 69 1 0 0 0 0 29 70 1 0 0 0 0 30 34 1 0 0 0 0 30 71 1 0 0 0 0 31 35 1 0 0 0 0 31 36 1 0 0 0 0 31 43 1 1 0 0 0 31 72 1 0 0 0 0 32 35 1 0 0 0 0 32 38 1 0 0 0 0 32 44 1 0 0 0 0 33 37 1 0 0 0 0 33 73 1 0 0 0 0 33 74 1 0 0 0 0 34 46 1 6 0 0 0 34 75 1 0 0 0 0 35 76 1 0 0 0 0 37 47 1 6 0 0 0 37 77 1 0 0 0 0 38 45 1 6 0 0 0 38 78 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 45 50 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 48107 1 0 0 0 0 48108 1 0 0 0 0 48109 1 0 0 0 0 49110 1 0 0 0 0 49111 1 0 0 0 0 49112 1 0 0 0 0 50113 1 0 0 0 0 50114 1 0 0 0 0 50115 1 0 0 0 0 51116 1 0 0 0 0 51117 1 0 0 0 0 51118 1 0 0 0 0 M END > DB00199 > Erythromycin > SMP00250 $$$$ 814 36 38 0 1 0 0 0 0 0999 V2000 8.0413 -1.2220 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6637 0.3713 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5413 -2.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5413 -2.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 1.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 1.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 -0.7220 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4432 0.2780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4727 1.7725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 -0.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9073 0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1753 0.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8013 -1.2566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 -1.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8013 0.8127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3092 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7073 -0.7428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7073 0.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5772 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 1.9804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7941 -1.8766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9992 -0.6851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7723 -1.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6192 -1.7589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7941 1.4326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2431 -1.0549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2431 0.6109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4432 -0.3420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7723 2.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2423 2.5468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 0.3933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 1.6265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 20 1 0 0 0 0 2 21 1 0 0 0 0 5 13 2 0 0 0 0 6 17 1 0 0 0 0 6 32 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 8 31 1 0 0 0 0 9 20 2 0 0 0 0 9 22 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 13 1 0 0 0 0 12 17 2 0 0 0 0 14 18 1 0 0 0 0 14 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 19 1 0 0 0 0 16 28 1 0 0 0 0 18 19 2 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 M END > DB00814 > Meloxicam > SMP00106 $$$$ 807 47 47 0 0 0 0 0 0 0999 V2000 8.0622 -0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -3.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7162 -2.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 -1.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5822 -3.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1836 -3.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2617 -1.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0588 -1.4301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 -0.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 -1.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -3.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -4.4419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8363 -1.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2163 -2.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 1.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 1.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 3.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 3.0699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 14 1 0 0 0 0 2 18 1 0 0 0 0 3 13 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 15 1 0 0 0 0 5 46 1 0 0 0 0 5 47 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 14 15 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 20 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 M END > DB00807 > Proparacaine > SMP00403 $$$$ 1082 79 81 0 1 0 0 0 0 0999 V2000 5.8520 0.0006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6316 0.0938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0795 2.1642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2384 3.4514 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5928 2.6812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5841 -0.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -2.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5841 -2.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0090 5.4588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9111 6.0768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5328 1.7030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1405 4.0694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -0.9994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8520 -3.9994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5932 3.5025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.1333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -1.8655 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8520 -5.7315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3520 -4.8654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8520 -0.9994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8226 1.4951 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8007 1.7030 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7181 0.5006 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9860 -1.4994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7181 -1.4994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9860 -2.4994 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7181 -2.4994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3007 0.8370 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8520 -2.9994 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2874 3.1424 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5442 3.8115 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7521 4.7897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7032 5.0987 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.4463 4.4295 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2953 0.7325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6668 2.2030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3974 4.7386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -0.9994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8500 4.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3520 -4.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 -0.6894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9831 2.0940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1981 0.8383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9860 -0.8794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7181 -0.8794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9860 -3.1194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7181 -3.1194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5229 0.2582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 -3.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7481 2.7275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4153 3.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1625 4.5981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2928 5.2903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9071 4.0147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2305 0.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9119 0.6676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3601 1.3491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6668 2.8230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0032 2.8727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1210 -1.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4643 2.8960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -3.6194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1210 -2.6894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8860 5.1203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1063 5.2860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1379 6.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5008 6.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 3.7109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3893 4.5865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2649 4.6324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7302 4.2610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 0.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9301 -2.4024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2320 -5.7315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1620 -6.2684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6620 -5.4024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6620 -4.3285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20 1 1 1 0 0 0 23 1 1 1 0 0 0 2 23 1 0 0 0 0 2 28 1 0 0 0 0 21 3 1 6 0 0 0 30 3 1 1 0 0 0 4 30 1 0 0 0 0 4 34 1 0 0 0 0 22 5 1 6 0 0 0 5 59 1 0 0 0 0 25 6 1 6 0 0 0 6 60 1 0 0 0 0 26 7 1 1 0 0 0 7 62 1 0 0 0 0 27 8 1 1 0 0 0 8 63 1 0 0 0 0 32 9 1 6 0 0 0 9 66 1 0 0 0 0 33 10 1 1 0 0 0 10 67 1 0 0 0 0 11 36 2 0 0 0 0 12 37 1 0 0 0 0 12 71 1 0 0 0 0 24 13 1 6 0 0 0 13 38 2 0 0 0 0 29 14 1 6 0 0 0 14 40 2 0 0 0 0 31 15 1 1 0 0 0 15 39 1 0 0 0 0 15 61 1 0 0 0 0 16 38 1 0 0 0 0 16 72 1 0 0 0 0 16 73 1 0 0 0 0 17 38 1 0 0 0 0 17 74 1 0 0 0 0 17 75 1 0 0 0 0 18 40 1 0 0 0 0 18 76 1 0 0 0 0 18 77 1 0 0 0 0 19 40 1 0 0 0 0 19 78 1 0 0 0 0 19 79 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 42 1 0 0 0 0 22 28 1 0 0 0 0 22 36 1 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 24 44 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 26 29 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 47 1 0 0 0 0 28 35 1 6 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 31 1 0 0 0 0 30 50 1 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 33 1 0 0 0 0 32 52 1 0 0 0 0 33 34 1 0 0 0 0 33 53 1 0 0 0 0 34 37 1 6 0 0 0 34 54 1 0 0 0 0 35 55 1 0 0 0 0 35 56 1 0 0 0 0 35 57 1 0 0 0 0 36 58 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 39 70 1 0 0 0 0 M END > DB01082 > Streptomycin > SMP00259 $$$$ 187 46 46 0 1 0 0 0 0 0999 V2000 3.7321 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 4.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 3.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -5.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 6 1 0 0 0 0 2 37 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 20 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 26 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 19 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 16 18 2 0 0 0 0 16 39 1 0 0 0 0 17 42 1 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 21 46 1 0 0 0 0 M END > DB00187 > Esmolol > SMP00301 $$$$ 421 61 65 0 1 0 0 0 0 0999 V2000 3.7319 -0.3759 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.1536 -2.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5366 -3.8657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4213 4.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8486 1.1139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3681 -1.8728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5021 -1.3728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5021 -0.3728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1589 -2.8446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3681 0.1272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2342 -1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7651 -2.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3842 1.1687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2342 -0.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1702 -2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5921 0.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3530 -2.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9493 -3.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4862 1.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5841 1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3361 1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2464 0.6620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8145 -4.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5588 -3.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3529 2.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4778 2.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4174 3.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 0.1140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7709 -1.0484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8124 -0.7781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0640 0.5218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4462 -1.9554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8448 -1.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3997 -1.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2286 -2.3507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8448 -0.4805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4462 0.2098 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5806 -3.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2990 -3.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8955 0.5273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4606 -1.4359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2453 -2.6570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9635 -2.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6962 -4.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3600 -3.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3705 1.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9741 1.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5362 1.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9486 1.7860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5605 1.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7809 0.3479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9322 0.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4492 -4.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2745 -4.7396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9620 2.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5709 3.3546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9397 3.0893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6838 0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4667 -0.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3162 -0.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 28 1 0 0 0 0 9 2 1 1 0 0 0 2 24 1 0 0 0 0 3 24 2 0 0 0 0 4 27 2 0 0 0 0 5 28 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 17 1 1 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 30 1 6 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 8 31 1 1 0 0 0 9 15 1 0 0 0 0 9 18 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 32 1 6 0 0 0 11 14 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 15 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 19 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 1 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 20 1 0 0 0 0 16 41 1 1 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 23 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 26 2 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 25 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 25 27 1 0 0 0 0 25 56 1 0 0 0 0 25 57 1 0 0 0 0 26 27 1 0 0 0 0 26 58 1 0 0 0 0 28 29 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 M END > DB00421 > Spironolactone > SMP00134 $$$$ 519 65 67 0 1 0 0 0 0 0999 V2000 8.5854 -1.3305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3798 -4.1580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3798 -2.4260 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2247 2.5972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8710 2.0591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2962 -2.4873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2497 0.1581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3500 -3.7920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3500 -2.7920 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2962 -4.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8798 -3.2920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4840 -4.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4840 -2.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 -3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6180 -2.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6069 -1.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8798 -3.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9390 -0.7925 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9605 -0.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5819 0.9024 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6034 0.6961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8925 1.8529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 1.4404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 1.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 3.5477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 1.9785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6463 0.2837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 1.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 0.0775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8675 4.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 -4.5875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4347 -1.9965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0452 -4.6636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8336 -4.4060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1616 -2.7397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0855 -4.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8825 -4.7670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8825 -1.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0855 -1.8171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4059 -4.3746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 -3.6843 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4059 -2.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0074 -2.8997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5457 -0.6646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8564 0.2859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8327 -0.3920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3539 -1.1265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0884 -1.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9998 -4.1580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3893 0.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8346 0.1209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0770 0.3685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7043 2.0157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4619 1.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4818 2.5679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 -0.1778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0823 3.2557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9179 4.0356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 2.2338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 -0.5118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4534 4.7535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4060 3.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3290 4.7061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 0.6939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 17 1 0 0 0 0 2 50 1 0 0 0 0 3 17 2 0 0 0 0 4 22 1 0 0 0 0 4 25 1 0 0 0 0 5 22 2 0 0 0 0 6 9 1 0 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 18 7 1 6 0 0 0 20 7 1 1 0 0 0 7 46 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 6 0 0 0 9 13 1 0 0 0 0 9 33 1 1 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 17 1 6 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 45 1 0 0 0 0 19 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 51 1 0 0 0 0 21 23 1 0 0 0 0 21 52 1 0 0 0 0 21 53 1 0 0 0 0 23 24 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 25 30 1 0 0 0 0 25 58 1 0 0 0 0 25 59 1 0 0 0 0 26 28 1 0 0 0 0 26 56 1 0 0 0 0 27 29 2 0 0 0 0 27 57 1 0 0 0 0 28 31 2 0 0 0 0 28 60 1 0 0 0 0 29 31 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 31 65 1 0 0 0 0 M END > DB00519 > Trandolapril > SMP00157 $$$$ 1054 46 47 0 1 0 0 0 0 0999 V2000 3.7321 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.3100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9282 1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -3.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -2.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -2.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -3.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -0.2151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 24 1 0 0 0 0 2 20 1 0 0 0 0 2 25 1 0 0 0 0 3 16 2 0 0 0 0 4 20 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 28 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 14 2 0 0 0 0 11 20 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 15 29 1 0 0 0 0 17 22 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 21 23 2 0 0 0 0 22 23 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 M CHG 2 5 -1 8 1 M END > DB01054 > Nitrendipine > SMP00382 $$$$ 1109 112115 0 1 0 0 0 0 0999 V2000 6.3301 3.3450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -2.6550 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -1.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 4.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 2.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 2.2110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.4790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 -0.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 -2.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -2.5210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.7890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 -3.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9904 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9904 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 2.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 0.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -0.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 0.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 -0.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5263 0.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 1.8450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2583 0.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -1.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.2583 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1244 -0.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.1244 1.8450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -2.6550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.9904 1.3450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -3.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -2.6550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.6603 2.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 4.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 -0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 1.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6613 -0.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 -1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 -1.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 1.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9123 -1.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5138 -1.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5874 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3933 1.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6104 4.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 4.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3704 4.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5273 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 26 2 0 0 0 0 1 27 2 0 0 0 0 1 43 1 0 0 0 0 2 11 1 0 0 0 0 2 28 1 0 0 0 0 2 29 2 0 0 0 0 2 30 2 0 0 0 0 3 14 1 0 0 0 0 3 31 1 0 0 0 0 3 33 2 0 0 0 0 3 34 2 0 0 0 0 4 17 1 0 0 0 0 4 36 1 0 0 0 0 4 38 2 0 0 0 0 4 39 2 0 0 0 0 5 22 1 0 0 0 0 5 40 1 0 0 0 0 5 41 2 0 0 0 0 5 42 2 0 0 0 0 6 48 1 0 0 0 0 6 49 1 0 0 0 0 7 48 1 0 0 0 0 7 50 1 0 0 0 0 8 47 1 0 0 0 0 8 56 1 0 0 0 0 9 53 1 0 0 0 0 9 54 1 0 0 0 0 10 53 1 0 0 0 0 10 55 1 0 0 0 0 11 46 1 0 0 0 0 12 58 1 0 0 0 0 12 63 1 0 0 0 0 13 56 1 0 0 0 0 13 65 1 0 0 0 0 14 52 1 0 0 0 0 15 51 1 0 0 0 0 15 96 1 0 0 0 0 16 57 1 0 0 0 0 16 98 1 0 0 0 0 17 61 1 0 0 0 0 18 60 1 0 0 0 0 18 99 1 0 0 0 0 19 62 1 0 0 0 0 19100 1 0 0 0 0 20 63 1 0 0 0 0 20101 1 0 0 0 0 21 64 1 0 0 0 0 21102 1 0 0 0 0 22 67 1 0 0 0 0 23 66 1 0 0 0 0 23103 1 0 0 0 0 24104 1 0 0 0 0 25 66 2 0 0 0 0 28105 1 0 0 0 0 31109 1 0 0 0 0 32 68 1 0 0 0 0 32110 1 0 0 0 0 35 68 2 0 0 0 0 36111 1 0 0 0 0 37 69 2 0 0 0 0 40112 1 0 0 0 0 43 45 1 0 0 0 0 43 85 1 0 0 0 0 44 59 1 0 0 0 0 44 69 1 0 0 0 0 44 97 1 0 0 0 0 45 46 1 0 0 0 0 45 48 1 0 0 0 0 45 71 1 0 0 0 0 46 47 1 0 0 0 0 46 72 1 0 0 0 0 47 49 1 0 0 0 0 47 73 1 0 0 0 0 48 74 1 0 0 0 0 49 60 1 0 0 0 0 49 75 1 0 0 0 0 50 51 1 0 0 0 0 50 54 1 0 0 0 0 50 76 1 0 0 0 0 51 52 1 0 0 0 0 51 77 1 0 0 0 0 52 53 1 0 0 0 0 52 78 1 0 0 0 0 53 79 1 0 0 0 0 54 66 1 0 0 0 0 54 80 1 0 0 0 0 55 57 1 0 0 0 0 55 58 1 0 0 0 0 55 81 1 0 0 0 0 56 61 1 0 0 0 0 56 82 1 0 0 0 0 57 59 1 0 0 0 0 57 83 1 0 0 0 0 58 67 1 0 0 0 0 58 84 1 0 0 0 0 59 63 1 0 0 0 0 59 86 1 0 0 0 0 60 87 1 0 0 0 0 60 88 1 0 0 0 0 61 62 1 0 0 0 0 61 89 1 0 0 0 0 62 64 1 0 0 0 0 62 90 1 0 0 0 0 63 91 1 0 0 0 0 64 65 1 0 0 0 0 64 92 1 0 0 0 0 65 68 1 0 0 0 0 65 93 1 0 0 0 0 67 94 1 0 0 0 0 67 95 1 0 0 0 0 69 70 1 0 0 0 0 70106 1 0 0 0 0 70107 1 0 0 0 0 70108 1 0 0 0 0 M END > DB01109 > Heparin > SMP00274 $$$$ 254 56 59 0 1 0 0 0 0 0999 V2000 6.9338 -1.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 1.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 2.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6839 1.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 2.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 2.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -1.9592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.4246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7998 -0.4246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9338 -0.9246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0678 0.5754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1738 -0.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6938 -0.9593 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7998 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -1.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 -2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 0.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 -1.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7937 -1.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3969 -1.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 -1.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2277 -1.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3022 -1.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6750 -2.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0623 -1.9521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4707 -2.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7578 2.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5238 -1.6223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -3.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 -2.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -1.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 -1.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 -2.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 -2.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 2.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -0.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 0.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5333 -0.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 2.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 2.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 6 0 0 0 1 41 1 0 0 0 0 14 2 1 6 0 0 0 2 42 1 0 0 0 0 3 18 2 0 0 0 0 4 19 2 0 0 0 0 5 22 1 0 0 0 0 5 50 1 0 0 0 0 6 21 2 0 0 0 0 7 29 1 0 0 0 0 7 55 1 0 0 0 0 8 30 1 0 0 0 0 8 56 1 0 0 0 0 15 9 1 6 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 30 1 0 0 0 0 10 53 1 0 0 0 0 10 54 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 6 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 12 34 1 6 0 0 0 13 35 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 21 1 0 0 0 0 15 36 1 0 0 0 0 16 20 1 0 0 0 0 16 25 1 6 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 2 0 0 0 0 20 26 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 30 2 0 0 0 0 24 29 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 26 31 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 29 32 2 0 0 0 0 31 32 1 0 0 0 0 31 51 1 0 0 0 0 32 52 1 0 0 0 0 M END > DB00254 > Doxycycline > SMP00291 $$$$ -OEChem-04220915412D 43 46 0 1 0 0 0 0 0999 V2000 6.8865 -3.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 -3.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1885 -3.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8865 -2.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1885 -2.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 -2.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -3.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 -1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3020 -2.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3785 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8120 -3.9407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5100 -3.9797 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -6.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4530 -6.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0375 -0.6633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -4.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8865 -5.3063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5100 -2.6532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3785 -6.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7550 -6.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3785 -1.9508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9630 -4.6040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5361 -1.0339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8120 -2.6336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6610 -1.9704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -1.9899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7195 -4.6040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2138 -0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1510 -6.0086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5085 -1.8923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.6727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.9797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1885 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8865 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3380 -2.5556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9240 -1.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2260 -1.9118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0750 -2.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 22 1 6 0 0 0 2 4 2 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 5 1 0 0 0 0 3 15 1 0 0 0 0 3 7 2 0 0 0 0 4 25 1 0 0 0 0 5 18 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 13 1 0 0 0 0 7 26 1 0 0 0 0 8 10 1 0 0 0 0 8 19 2 0 0 0 0 9 14 1 0 0 0 0 9 11 1 0 0 0 0 10 21 1 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 11 28 1 1 0 0 0 11 33 1 6 0 0 0 12 31 1 0 0 0 0 13 20 1 6 0 0 0 15 17 1 0 0 0 0 15 24 2 0 0 0 0 29 16 1 1 0 0 0 16 27 2 0 0 0 0 16 32 1 0 0 0 0 17 23 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 34 1 0 0 0 0 21 37 2 0 0 0 0 23 30 1 0 0 0 0 29 30 1 0 0 0 0 29 41 1 0 0 0 0 31 36 2 0 0 0 0 35 40 1 0 0 0 0 36 37 1 0 0 0 0 40 42 1 0 0 0 0 41 43 1 0 0 0 0 42 43 1 0 0 0 0 M END $$$$ > DB00256 > Lymecycline > SMP00295 $$$$ 297 49 50 0 1 0 0 0 0 0999 V2000 7.1962 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 3.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 3.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 2.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 M END > DB00297 > Bupivacaine > SMP00393 $$$$ 682 39 41 0 1 0 0 0 0 0999 V2000 6.3301 1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -0.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.9747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.4192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -0.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 -0.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3521 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1121 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 2.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 0.1071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 1.7729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 2 10 1 0 0 0 0 2 39 1 0 0 0 0 3 9 2 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 24 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 12 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 12 19 1 0 0 0 0 13 17 1 0 0 0 0 13 27 1 0 0 0 0 14 18 2 0 0 0 0 14 28 1 0 0 0 0 15 20 2 0 0 0 0 16 22 1 0 0 0 0 16 29 1 0 0 0 0 17 21 2 0 0 0 0 17 30 1 0 0 0 0 18 21 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 23 1 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 M END > DB00682 > Warfarin > SMP00268 $$$$ 585 42 42 0 0 0 0 0 0 0999 V2000 8.0337 -0.7098 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.0369 -0.1189 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0615 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1590 1.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0401 -0.7098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 -1.6577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -0.6587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 0.9886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.3705 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.2970 -1.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3459 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 -1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7279 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7768 -1.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0369 -0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9912 -1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8322 0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0059 -1.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7855 -1.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5940 -1.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3737 -1.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8280 0.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 0.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0679 -1.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2882 -1.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6725 0.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2595 -1.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7996 -1.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5808 -1.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1827 -0.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4386 0.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7033 0.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2257 0.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4428 1.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5249 2.1185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6952 1.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 2.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 11 1 0 0 0 0 2 16 1 0 0 0 0 3 9 1 0 0 0 0 4 9 2 0 0 0 0 5 10 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 11 2 0 0 0 0 6 13 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 7 31 1 0 0 0 0 8 19 1 0 0 0 0 8 21 1 0 0 0 0 8 38 1 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 30 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 M CHG 2 3 -1 9 1 M END > DB00585 > Nizatidine > SMP00233 $$$$ 775 66 67 0 1 0 0 0 0 0999 V2000 8.5991 4.0000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0991 3.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0991 4.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -6.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -6.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -5.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8671 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 5.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 6.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 7.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -6.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -7.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -4.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -4.5251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3471 -5.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7456 -4.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8015 -7.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0044 -7.4749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9264 -5.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3249 -4.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 -4.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -3.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6116 -3.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2131 -4.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -2.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -1.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6550 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2565 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0757 4.6077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6772 3.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 5.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 6.0826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 6.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 5.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9512 7.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7112 7.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 7.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 2.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 5 29 1 0 0 0 0 5 66 1 0 0 0 0 6 29 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 44 1 0 0 0 0 18 8 1 6 0 0 0 8 54 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 31 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 15 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 18 49 1 0 0 0 0 19 23 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 20 22 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 24 1 0 0 0 0 22 55 1 0 0 0 0 22 56 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 30 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 27 1 0 0 0 0 25 61 1 0 0 0 0 26 28 2 0 0 0 0 26 62 1 0 0 0 0 27 59 1 0 0 0 0 28 60 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 M END > DB00775 > Tirofiban > SMP00267 $$$$ 946 37 39 0 1 0 0 0 0 0999 V2000 6.3301 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5600 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -0.5947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 0.9608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 -2.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 -1.5231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 -1.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 2.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -0.3929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 1.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 14 1 0 0 0 0 2 9 1 0 0 0 0 2 37 1 0 0 0 0 3 8 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 22 1 0 0 0 0 5 10 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 9 2 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 12 28 1 0 0 0 0 13 17 2 0 0 0 0 13 29 1 0 0 0 0 14 18 2 0 0 0 0 15 20 1 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 31 1 0 0 0 0 17 19 1 0 0 0 0 17 32 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 21 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 M END > DB00946 > Phenprocoumon > SMP00271 $$$$ 1009 33 34 0 1 0 0 0 0 0999 V2000 2.0000 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4400 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7321 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.4769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 33 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 13 1 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 7 10 2 0 0 0 0 7 12 1 0 0 0 0 8 11 2 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 M END > DB01009 > Ketoprofen > SMP00085 $$$$ 338 43 45 0 1 0 0 0 0 0999 V2000 7.9939 0.6020 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 11.4939 -1.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 1.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.4067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.2027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 0.6020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6016 -0.8746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9113 -0.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 1.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9570 -1.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1839 -2.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -2.3061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 1.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -0.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 0.3560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1139 -0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -2.6161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1139 -1.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -1.3761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 2 23 1 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 27 1 0 0 0 0 6 11 2 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 14 19 1 0 0 0 0 15 18 2 0 0 0 0 15 22 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END > DB00338 > Omeprazole > SMP00226 $$$$ 343 55 57 0 1 0 0 0 0 0999 V2000 4.1092 -0.7104 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1666 0.9724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3312 -0.4879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9972 3.6753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7271 0.2209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1337 -1.6853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6282 -2.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7327 0.0714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7327 0.0714 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3562 -0.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9155 -2.3088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2327 -2.1192 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2989 0.9724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3318 -1.6853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8464 -1.9435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3266 -3.1566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4622 -2.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3017 1.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8622 1.7986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4705 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5320 -3.2981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8678 1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4283 2.6996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5591 -2.2016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -3.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4311 2.7743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1638 1.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5977 1.9481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0626 0.5964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3488 0.1408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2388 -2.8379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4507 -2.7191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5231 -1.4145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3113 -1.5333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8883 -3.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9067 -1.9833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9524 0.5348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4804 1.7523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5192 -4.3681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0184 -3.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2495 1.9944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7775 3.2119 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3326 -1.6245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1363 -1.9751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7856 -2.7788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0923 -3.6482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3868 -4.1689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8661 -3.4634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1563 1.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8667 2.5067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0391 2.2171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9537 3.1317 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3817 3.7963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0463 4.3683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 9 2 1 1 0 0 0 2 27 1 0 0 0 0 3 10 2 0 0 0 0 4 26 1 0 0 0 0 4 29 1 0 0 0 0 5 27 2 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 15 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 13 1 1 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 11 15 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 17 2 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 20 1 0 0 0 0 16 36 1 0 0 0 0 17 21 1 0 0 0 0 17 37 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 19 23 2 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 26 2 0 0 0 0 22 42 1 0 0 0 0 23 26 1 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 24 46 1 0 0 0 0 25 47 1 0 0 0 0 25 48 1 0 0 0 0 25 49 1 0 0 0 0 27 28 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 M END > DB00343 > Diltiazem > SMP00359 $$$$ 1197 29 29 0 1 0 0 0 0 0999 V2000 2.0000 -1.9594 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2353 1.9885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 0.3412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.0406 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5411 1.6284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2321 2.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 2.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9230 1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4594 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4921 1.3193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 1.0160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 2.7083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 3.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2969 3.1960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6256 2.7083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 1.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 1.8805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 -2.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 -1.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.4964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8249 1.7969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 29 1 0 0 0 0 2 10 2 0 0 0 0 3 12 1 0 0 0 0 3 28 1 0 0 0 0 4 12 2 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 1 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 1 0 0 0 11 22 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 M END > DB01197 > Captopril > SMP00146 $$$$ 670 47 50 0 0 0 0 0 0 0999 V2000 5.7490 -0.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9491 4.2958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -1.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -3.2958 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 1.2042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 3.3948 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 0.9179 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -1.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1509 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 -2.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 -0.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -4.2958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8830 0.2042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 1.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 1.6381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 2.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 2.6130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 0.9179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 3.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 2.9354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 2.9353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 1.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 1.2172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5403 -1.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9389 -1.2132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 -1.2132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4936 -1.9035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9389 -3.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5403 -2.6881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4935 -2.6882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0950 -3.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4064 -0.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8049 0.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3969 -4.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0169 -4.9158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6369 -4.2958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 0.3151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 3.9534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6381 3.5414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 3.5413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 0.7938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 2.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3577 2.4178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 0.7938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 20 2 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 13 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 6 41 1 0 0 0 0 7 16 1 0 0 0 0 7 26 2 0 0 0 0 8 10 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 15 17 1 0 0 0 0 15 19 2 0 0 0 0 16 18 2 0 0 0 0 17 20 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 40 1 0 0 0 0 21 24 1 0 0 0 0 21 42 1 0 0 0 0 22 25 2 0 0 0 0 22 43 1 0 0 0 0 23 24 2 0 0 0 0 23 44 1 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 M END > DB00670 > Pirenzepine > SMP00246 $$$$ 296 46 47 0 1 0 0 0 0 0999 V2000 6.3301 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8626 3.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0656 3.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 2.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 2.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 11 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 16 20 2 0 0 0 0 16 38 1 0 0 0 0 17 20 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 M END > DB00296 > Ropivacaine > SMP00404 $$$$ 1320 40 42 0 0 0 0 0 0 0999 V2000 8.3899 2.2336 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 6.5586 -1.1226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4388 1.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 2.2252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0808 3.1847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3409 2.5427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6989 1.2826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6618 0.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2798 0.6375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -0.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9708 -0.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9805 -0.4527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4708 1.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2309 0.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8368 -1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6059 -1.3800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1048 -1.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3649 0.3352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8368 -2.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6157 -1.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1048 -2.8136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3746 0.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -3.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0721 0.8290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3172 0.3325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8505 0.9248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3738 -1.5036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9877 -1.8685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 -1.5036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5971 0.9101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3738 -3.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3834 -2.0940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 -3.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9929 0.6846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9708 -3.9336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3860 -0.8173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4744 3.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4698 3.1491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 2 0 0 0 0 2 11 2 0 0 0 0 3 15 1 0 0 0 0 4 14 2 0 0 0 0 5 39 1 0 0 0 0 6 40 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 17 2 0 0 0 0 13 19 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 20 1 0 0 0 0 16 29 1 0 0 0 0 17 21 1 0 0 0 0 17 30 1 0 0 0 0 18 22 2 0 0 0 0 18 31 1 0 0 0 0 19 23 2 0 0 0 0 19 32 1 0 0 0 0 20 24 2 0 0 0 0 20 33 1 0 0 0 0 21 25 2 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 25 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 M END > DB01320 > Fosphenytoin > SMP00326 $$$$ 571 40 41 0 1 0 0 0 0 0999 V2000 5.4641 0.7327 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7673 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7321 -1.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 1.6980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 3.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.2535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -1.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -0.6847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.5773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.1250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 0.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.8043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -3.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -3.7673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.9227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 1.0780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 3.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 4.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 1.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 3.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 33 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 24 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 20 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 16 2 0 0 0 0 15 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 M END > DB00571 > Propranolol > SMP00307 $$$$ 310 33 35 0 1 0 0 0 0 0999 V2000 7.9184 2.4528 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1240 0.4634 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3709 1.0588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.4528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5323 1.3762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7157 -0.4495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.6975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0369 0.0550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.1072 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7321 -0.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4883 0.6936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.5022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4011 0.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3855 1.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2112 0.8717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1955 2.2747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1084 1.8664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -0.6975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4649 -0.3314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8195 1.9415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7647 1.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1318 2.8914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5391 0.4186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1006 -0.5617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 8 1 0 0 0 0 2 17 1 0 0 0 0 3 9 1 0 0 0 0 3 28 1 0 0 0 0 4 13 2 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 23 1 0 0 0 0 8 32 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 12 18 2 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 15 19 1 0 0 0 0 15 25 1 0 0 0 0 16 20 2 0 0 0 0 16 26 1 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 18 27 1 0 0 0 0 19 22 2 0 0 0 0 19 30 1 0 0 0 0 20 21 1 0 0 0 0 20 29 1 0 0 0 0 22 31 1 0 0 0 0 M END > DB00310 > Chlorthalidone > SMP00122 $$$$ 863 43 43 0 0 0 0 0 0 0999 V2000 8.0337 -0.7098 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.5369 -1.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0615 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.1590 1.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0401 -0.7098 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 -0.6587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 0.9886 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 0.3705 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.2970 -1.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3459 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7279 -1.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7768 -1.3789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0369 -0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0369 -0.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 -1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 -0.3497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8322 0.2683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9912 -1.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 0.0104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -0.2986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1100 1.6577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0059 -1.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7855 -1.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0679 -1.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2882 -1.7606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4013 0.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5940 -1.4005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3737 -1.5662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6725 0.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8280 0.0320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0484 0.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4386 0.3972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7033 0.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2257 0.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7996 -1.6085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5808 -1.2104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1827 -0.4292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2595 -1.2652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4428 1.1802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5653 -0.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5249 2.1185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6952 1.1970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6493 2.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 9 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 6 16 1 0 0 0 0 6 19 1 0 0 0 0 6 38 1 0 0 0 0 7 19 1 0 0 0 0 7 21 1 0 0 0 0 7 39 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 26 1 0 0 0 0 14 29 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 M CHG 2 3 -1 8 1 M END > DB00863 > Ranitidine > SMP00230 $$$$ 282 24 23 0 0 0 0 0 0 0999 V2000 3.4030 -1.3021 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3021 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.6681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.4361 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -1.1681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3021 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9614 0.6827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1766 1.6915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.0639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9426 1.0487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2149 0.3422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3435 -0.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5252 0.8367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2526 1.5857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -2.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 -0.4361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.8179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 -1.1681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2843 2.3021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5940 1.4795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 2 11 1 0 0 0 0 3 11 1 0 0 0 0 3 18 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 7 22 1 0 0 0 0 10 13 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 M END > DB00282 > Pamidronate > SMP00117 $$$$ 919 47 49 0 1 0 0 0 0 0999 V2000 6.3981 0.8969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.1031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1580 -1.1378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6497 -2.1377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 0.9210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 1.3969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1465 1.9315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6497 1.9315 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8679 -1.1273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5320 0.3969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5320 -0.6031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6381 0.9316 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6381 -1.1378 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7320 -0.6239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 0.4177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2641 0.3969 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2641 -0.6031 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1580 0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0641 -0.6239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0641 0.4177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7895 2.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 -1.1273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5382 1.1969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5382 -1.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1042 1.2467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1792 -1.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7356 -1.2439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7356 1.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2579 -1.4031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1902 2.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 -1.7473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0605 -1.2439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6750 0.3116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2732 1.0014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1902 -2.4415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3298 0.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7272 1.7069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1057 2.9748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2562 2.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4733 1.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -1.1687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -0.3227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3079 -0.0925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2403 -0.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4639 -1.4393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6161 -1.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 3 19 1 0 0 0 0 13 4 1 1 0 0 0 4 36 1 0 0 0 0 15 5 1 6 0 0 0 5 37 1 0 0 0 0 16 6 1 6 0 0 0 6 38 1 0 0 0 0 7 18 2 0 0 0 0 12 8 1 6 0 0 0 8 21 1 0 0 0 0 8 31 1 0 0 0 0 14 9 1 6 0 0 0 9 22 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 6 0 0 0 11 13 1 0 0 0 0 11 25 1 1 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 17 30 1 6 0 0 0 18 20 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 1 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 M END > DB00919 > Spectinomycin > SMP00258 $$$$ 178 62 64 0 1 0 0 0 0 0999 V2000 3.4206 -1.3919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -4.2259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.4939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7881 2.5317 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1408 1.9965 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7078 -2.5509 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7589 0.0944 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6588 -3.8599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6588 -2.8599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7078 -4.1689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6051 -4.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6051 -2.5552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -3.3599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1887 -3.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3988 -1.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -3.3599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0679 -0.8567 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0460 -1.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4280 0.8375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4062 0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1190 1.7886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0753 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0534 1.1648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3625 0.2138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7226 1.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4791 3.4828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3406 0.0059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7007 1.7001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1482 4.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0097 0.7490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6599 -4.6599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6599 -2.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1708 -4.4789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9600 -4.7353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1424 -4.4739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3540 -4.7315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3540 -1.9883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1424 -2.2459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8385 -2.8075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6495 -2.9452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6495 -3.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4614 -0.7278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1524 0.2233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6525 -1.1935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1750 -0.4581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9171 -1.6710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8216 0.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9319 0.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1739 0.0548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5495 1.7013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3075 1.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9476 -0.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5310 2.4976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0974 3.9713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9317 3.1917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5322 -0.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1156 2.1608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6875 4.6408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5631 4.6867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6090 3.8111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6162 0.6201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 2 0 0 0 0 2 16 1 0 0 0 0 2 47 1 0 0 0 0 3 16 2 0 0 0 0 4 21 1 0 0 0 0 4 26 1 0 0 0 0 5 21 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 17 7 1 1 0 0 0 19 7 1 6 0 0 0 7 43 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 31 1 6 0 0 0 9 12 1 0 0 0 0 9 32 1 6 0 0 0 10 13 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 14 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 16 1 1 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 42 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 48 1 0 0 0 0 20 22 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 27 1 0 0 0 0 24 53 1 0 0 0 0 25 28 2 0 0 0 0 25 54 1 0 0 0 0 26 29 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 30 2 0 0 0 0 27 57 1 0 0 0 0 28 30 1 0 0 0 0 28 58 1 0 0 0 0 29 59 1 0 0 0 0 29 60 1 0 0 0 0 29 61 1 0 0 0 0 30 62 1 0 0 0 0 M END > DB00178 > Ramipril > SMP00154 $$$$ 749 42 44 0 1 0 0 0 0 0999 V2000 7.6255 -0.6113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3478 1.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8317 -0.4387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 0.5129 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9225 0.1573 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.9071 -0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2831 -1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7033 1.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6579 0.8350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3036 -1.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2891 -0.0749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2737 0.1573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4387 1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9131 -1.8107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6125 0.5370 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9757 1.1119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5707 -0.6113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8926 -1.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5094 -2.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7531 -2.1325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1312 0.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3687 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1649 1.2111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9426 1.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9173 -1.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3220 -2.2217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.1329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8588 1.3548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8946 2.2309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0185 2.2666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1115 -2.3981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0045 1.7312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5906 1.1911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9648 -0.4801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4795 -2.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 1.9360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8641 0.7262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3951 1.4670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9396 1.0299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 12 1 0 0 0 0 2 17 1 0 0 0 0 2 42 1 0 0 0 0 3 17 2 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 12 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 15 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 17 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 2 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 18 21 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 37 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 M END > DB00749 > Etodolac > SMP00084 $$$$ 1002 49 50 0 1 0 0 0 0 0999 V2000 7.1962 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1962 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 3.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 3.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 2.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 2.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 -0.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 -1.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 9 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 1 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 14 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 16 18 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 M END > DB01002 > Levobupivacaine > SMP00397 $$$$ 227 65 67 0 1 0 0 0 0 0999 V2000 3.7321 0.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1893 -1.4997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5740 -2.9695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0379 -3.0096 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0548 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4920 1.5202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 1.5548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3981 2.0340 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 3.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4805 0.5202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0548 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3406 0.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 3.0756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 3.5895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3291 -0.9897 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0000 3.5548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4573 -1.4796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4458 -2.4796 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8660 0.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3060 -2.9896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9452 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1777 -2.4996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5919 1.2548 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0259 1.2050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9356 2.3430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8712 0.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 -0.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 2.1625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 1.4722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.6748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9499 -0.1045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5594 0.5904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 3.3877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 4.2094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5742 2.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7979 1.2186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 0.9949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8696 -0.6859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 4.0918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.8648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 3.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8455 -1.5802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.8946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9124 -2.1634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9020 -3.4599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6990 -3.4691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.5528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 -0.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5668 -3.5895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 -1.9821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.7552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 -0.9082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -2.4452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8 1 1 1 0 0 0 1 23 1 0 0 0 0 2 19 1 0 0 0 0 2 26 1 0 0 0 0 22 3 1 6 0 0 0 3 59 1 0 0 0 0 4 23 2 0 0 0 0 5 26 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 6 30 1 6 0 0 0 7 9 1 0 0 0 0 7 11 1 6 0 0 0 7 31 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 0 0 0 0 9 16 1 0 0 0 0 9 18 1 6 0 0 0 9 33 1 0 0 0 0 10 14 2 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 1 0 0 0 13 38 1 0 0 0 0 14 39 1 0 0 0 0 19 15 1 1 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 17 2 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 21 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 22 1 0 0 0 0 21 51 1 0 0 0 0 21 52 1 0 0 0 0 22 24 1 0 0 0 0 22 53 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 1 0 0 0 25 56 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 27 58 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 28 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 29 65 1 0 0 0 0 M END > DB00227 > Lovastatin > SMP00099 $$$$ 1193 52 52 0 1 0 0 0 0 0999 V2000 7.1962 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.7751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 2.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 -2.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3142 -3.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0823 -3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7023 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 3.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 7 1 0 0 0 0 2 38 1 0 0 0 0 3 21 2 0 0 0 0 4 22 2 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 29 1 0 0 0 0 6 15 1 0 0 0 0 6 22 1 0 0 0 0 6 44 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 22 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 23 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 24 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 M END > DB01193 > Acebutolol > SMP00296 $$$$ 700 60 65 0 1 0 0 0 0 0999 V2000 3.3022 -0.6276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3829 2.7418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6764 -0.1140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7931 1.3759 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.8657 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1153 -4.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1684 -0.1272 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0345 0.3728 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1684 1.8728 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0345 1.3728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3024 0.3728 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.1524 -1.1687 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3024 1.3728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3776 2.8446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9445 -0.1340 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7715 2.0399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3664 2.9477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0504 -1.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9525 -1.1756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1836 2.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2005 -1.6893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5872 3.8224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1524 -1.1610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8047 0.3759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1837 -2.7742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7221 4.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0588 -2.7814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9778 3.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1191 -3.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5366 0.3960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5690 0.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7657 1.0484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6824 0.3729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0904 1.9554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6918 1.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4844 -0.4389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3080 2.3507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1369 1.5390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2376 3.5542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9560 3.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1660 -1.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5625 -1.0648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0760 1.4359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5731 2.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2913 2.6570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5880 -1.7860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0004 -1.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8404 4.3884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1766 3.6298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1476 -1.7810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5324 -1.1562 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1572 -0.5410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5746 -2.6587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9657 -3.3546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0874 4.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2621 4.7396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5969 -3.0893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2204 0.9293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0699 0.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8528 -0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7 1 1 6 0 0 0 1 11 1 0 0 0 0 14 2 1 1 0 0 0 2 28 1 0 0 0 0 3 24 1 0 0 0 0 3 30 1 0 0 0 0 4 24 2 0 0 0 0 5 28 2 0 0 0 0 6 29 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 20 1 1 0 0 0 10 16 1 0 0 0 0 10 32 1 6 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 12 18 1 0 0 0 0 12 21 1 0 0 0 0 12 23 1 1 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 17 1 0 0 0 0 14 22 1 0 0 0 0 15 19 1 0 0 0 0 15 24 1 6 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 25 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 26 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 25 29 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 26 28 1 0 0 0 0 26 55 1 0 0 0 0 26 56 1 0 0 0 0 27 29 1 0 0 0 0 27 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 M END > DB00700 > Eplerenone > SMP00135 $$$$ 1023 44 45 0 1 0 0 0 0 0999 V2000 8.1810 1.4836 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.8100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7050 0.5760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 -0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 20 1 0 0 0 0 3 14 1 0 0 0 0 3 23 1 0 0 0 0 4 17 1 0 0 0 0 4 24 1 0 0 0 0 5 14 2 0 0 0 0 6 17 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 27 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 26 1 0 0 0 0 9 12 2 0 0 0 0 9 14 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 18 20 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 25 44 1 0 0 0 0 M END > DB01023 > Felodipine > SMP00377 $$$$ 1017 60 63 0 1 0 0 0 0 0999 V2000 6.0678 1.5969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 2.0969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6839 2.0033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 2.1315 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.9273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 2.1746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.6244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -1.9377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 -1.9808 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 2.1210 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.4031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0678 0.5969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9338 -0.9031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.4031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1738 -0.9378 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7998 0.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.0969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -0.9378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1738 1.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 1.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 0.6177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -0.9808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -2.4477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 -2.4277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.1210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -0.4456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 0.6394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6477 -2.4707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3796 -2.4908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 -1.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 -1.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 -1.3781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7937 -1.2031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 -1.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2892 -1.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0874 -1.4168 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7578 2.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -1.9144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 -2.7639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -2.9810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 -2.9681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 -2.7314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 -1.8872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 2.4477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -0.7577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 0.9515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9457 2.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 2.4331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 2.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9515 -3.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1072 -2.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3439 -1.9302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0634 -3.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6958 -1.9574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9129 -2.8069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12 1 1 6 0 0 0 1 41 1 0 0 0 0 2 17 2 0 0 0 0 3 19 2 0 0 0 0 4 22 1 0 0 0 0 4 48 1 0 0 0 0 5 20 2 0 0 0 0 6 28 1 0 0 0 0 6 53 1 0 0 0 0 7 29 1 0 0 0 0 7 60 1 0 0 0 0 15 8 1 6 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 25 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 29 1 0 0 0 0 10 51 1 0 0 0 0 10 52 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 6 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 18 1 0 0 0 0 14 37 1 6 0 0 0 15 20 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 18 21 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 23 1 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 21 25 2 0 0 0 0 22 24 1 0 0 0 0 23 29 2 0 0 0 0 24 28 2 0 0 0 0 25 30 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 28 31 1 0 0 0 0 30 31 2 0 0 0 0 30 49 1 0 0 0 0 31 50 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 M END > DB01017 > Minocycline > SMP00292 $$$$ 232 31 32 0 1 0 0 0 0 0999 V2000 2.0000 2.0737 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 1.0979 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.9263 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -0.9504 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.2321 -1.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 -1.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7655 -0.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7588 -1.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4263 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7321 1.0737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1263 -1.4537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5737 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 -0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.6937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 1.1814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 0.4911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 -1.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.4632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.3893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 1.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1239 -2.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6644 -1.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 20 1 0 0 0 0 3 5 2 0 0 0 0 3 6 2 0 0 0 0 3 9 1 0 0 0 0 3 13 1 0 0 0 0 4 7 2 0 0 0 0 4 8 2 0 0 0 0 4 11 1 0 0 0 0 4 19 1 0 0 0 0 9 12 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 22 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 15 1 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 18 2 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 19 1 0 0 0 0 16 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 M END > DB00232 > Methyclothiazide > SMP00081 $$$$ 955 74 76 0 1 0 0 0 0 0999 V2000 6.3521 2.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -0.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 2.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 1.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3521 4.1835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7540 3.6835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -2.5485 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0841 1.1835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8521 -1.6824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 5.1835 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.8164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -5.1466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3521 1.1835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.2181 0.6835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4860 0.6835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4860 -0.3165 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3521 -0.8165 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2181 -0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 2.6835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6200 4.1835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4860 3.6835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7540 3.6835 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7540 2.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1201 -1.6825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9501 0.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2540 4.5496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -1.6825 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6200 -2.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8162 1.1835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 5.6835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1200 -3.4145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1201 -3.4146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6200 -4.2806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 1.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2181 1.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 1.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 -0.9365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9137 -1.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4301 -0.8991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8287 -0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 2.0635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0831 4.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4860 4.3035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0841 1.8035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5419 2.1009 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1434 2.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4721 -1.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5421 -2.2194 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8101 -1.1456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0831 0.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5516 0.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3487 0.2086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7909 4.8596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9440 5.0865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7170 4.2396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0831 5.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -1.6825 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8890 3.8735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4440 3.1466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1451 -2.9471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1451 -2.1501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1262 0.6466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3531 1.4935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5062 1.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1760 6.2205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0230 5.9935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7960 5.1466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8101 -3.9515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9300 -0.2795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0949 -3.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0949 -4.6791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4300 -5.6835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -5.1466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13 1 1 1 0 0 0 19 1 1 1 0 0 0 16 2 1 1 0 0 0 24 2 1 1 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 15 4 1 1 0 0 0 4 50 1 0 0 0 0 21 5 1 1 0 0 0 5 58 1 0 0 0 0 22 6 1 6 0 0 0 6 59 1 0 0 0 0 7 24 1 0 0 0 0 7 31 1 0 0 0 0 14 8 1 6 0 0 0 8 25 1 0 0 0 0 8 44 1 0 0 0 0 17 9 1 6 0 0 0 9 47 1 0 0 0 0 9 48 1 0 0 0 0 20 10 1 1 0 0 0 10 30 1 0 0 0 0 10 56 1 0 0 0 0 27 11 1 1 0 0 0 11 69 1 0 0 0 0 11 70 1 0 0 0 0 12 33 1 0 0 0 0 12 73 1 0 0 0 0 12 74 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 26 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 27 1 0 0 0 0 24 49 1 0 0 0 0 25 29 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 26 55 1 0 0 0 0 27 28 1 0 0 0 0 27 57 1 0 0 0 0 28 32 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 29 64 1 0 0 0 0 30 65 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 68 1 0 0 0 0 33 71 1 0 0 0 0 33 72 1 0 0 0 0 M END > DB00955 > Netilmicin > SMP00257 $$$$ 1325 30 31 0 1 0 0 0 0 0999 V2000 8.1282 1.2879 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.7604 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6315 0.1037 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6249 -1.6245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.2363 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 -1.2637 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.7637 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -0.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.2571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.2984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.3837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.7387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.7387 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.5463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 -1.3909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 1.9184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.3007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5304 -0.9558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9899 -1.8837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 15 1 0 0 0 0 3 13 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 23 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 16 2 0 0 0 0 11 18 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 15 17 2 0 0 0 0 16 17 1 0 0 0 0 16 25 1 0 0 0 0 18 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 M END > DB01325 > Quinethazone > SMP00091 $$$$ 784 33 34 0 0 0 0 0 0 0999 V2000 3.7321 2.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 33 1 0 0 0 0 2 18 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 2 0 0 0 0 4 10 1 0 0 0 0 5 8 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 12 1 0 0 0 0 7 14 2 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 16 1 0 0 0 0 14 29 1 0 0 0 0 15 17 1 0 0 0 0 15 30 1 0 0 0 0 16 17 2 0 0 0 0 16 31 1 0 0 0 0 17 32 1 0 0 0 0 M END > DB00784 > Mefenamic acid > SMP00109 $$$$ 533 36 38 0 0 0 0 0 0 0999 V2000 5.6622 -2.6739 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1622 2.8649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5744 3.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6622 -2.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6622 -2.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1622 2.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7962 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 2.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 1.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7812 1.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0376 2.1660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0651 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0651 -1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2592 -1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 0.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 2.8804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0422 -3.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -4.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2822 -3.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 -0.2888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 2.3798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 0.7952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 10 1 0 0 0 0 1 19 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 14 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 25 1 0 0 0 0 13 16 2 0 0 0 0 13 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 20 1 0 0 0 0 17 29 1 0 0 0 0 18 21 2 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END > DB00533 > Rofecoxib > SMP00087 $$$$ 927 35 35 0 0 0 0 0 0 0999 V2000 7.7513 -0.0255 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4118 0.3857 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7545 0.5654 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7208 -0.5654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1028 1.3367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3629 0.6947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2545 -0.9734 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8981 -0.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0146 -0.6947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4607 0.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7088 -0.3346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5498 0.9526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0571 0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8002 -0.3346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4944 -0.6947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1060 0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4455 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7545 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0635 -0.3857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7577 -0.0255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5456 0.7163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7660 0.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3116 -0.7163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0913 -0.8820 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0058 -1.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7855 -1.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3901 1.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3588 -1.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3084 -1.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3318 -0.5298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1695 0.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8377 -0.9410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0105 1.3675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9601 1.1442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 6 1 0 0 0 0 2 10 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 6 16 2 3 0 0 0 7 17 1 0 0 0 0 7 19 2 0 0 0 0 8 16 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 19 1 0 0 0 0 9 20 2 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 20 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 20 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 17 18 2 0 0 0 0 18 27 1 0 0 0 0 M END > DB00927 > Famotidine > SMP00231 $$$$ 63 106109 0 1 0 0 0 0 0999 V2000 10.6701 2.7007 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.8402 3.2586 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.4688 -4.1375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7518 -1.1970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7616 -4.4760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4253 0.6407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0633 -4.6781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9838 -1.9977 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1815 -2.9501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8991 1.7240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5612 4.3262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7923 -2.6651 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8966 0.0443 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0584 -3.7075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0898 -5.9520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4306 -2.4209 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9201 2.2975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0403 2.9116 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5773 0.3778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2279 6.0338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2901 7.4019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5741 7.6377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4056 -1.8753 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3398 -2.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3073 -3.2084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3528 -3.4861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9887 -3.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0543 -3.6165 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.7830 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2800 -4.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5491 -5.2733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7379 1.0316 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.6719 -6.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0750 -3.5263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5733 -5.0835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1768 -3.0866 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7652 -6.6815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3187 1.9395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6944 1.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4905 -6.8341 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6189 -3.9165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6770 -7.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4024 -7.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4956 -8.2520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3252 2.2126 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.8918 -1.5785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5353 2.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6212 -3.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6714 3.8166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6001 -0.6220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8252 1.3466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8816 4.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8906 3.5720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8916 3.6175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9174 3.3918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0177 5.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3640 7.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9723 -1.6238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4892 -1.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9540 -2.3002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9257 -3.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4170 -3.8186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8069 -3.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5876 -4.0599 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6910 -4.1189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8505 -4.3480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6180 -5.1104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5164 0.0584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0302 -4.3268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2639 0.7035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3119 -4.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5617 -3.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7964 1.6054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9387 1.9395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4742 -6.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0526 -6.5726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1857 -4.1678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4698 -4.5183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1149 -7.9391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9587 -2.8230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9099 -8.1863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4410 -8.8695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2899 2.8316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4670 2.7207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5132 2.4783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9450 3.0157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2459 2.2776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2617 3.6268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9608 4.3649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0314 -0.3750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2122 -0.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2913 4.6196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5922 3.8815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6713 3.4099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9614 0.4482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7783 2.9622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3138 4.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 3.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1769 4.1680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3071 5.9688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6080 5.2307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4447 -4.6358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7798 7.0217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3745 8.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.4037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6586 8.2520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 38 1 0 0 0 0 2 53 1 0 0 0 0 3 27 2 0 0 0 0 4 29 2 0 0 0 0 5 34 2 0 0 0 0 6 39 2 0 0 0 0 7 48 1 0 0 0 0 7102 1 0 0 0 0 8 46 2 0 0 0 0 9 48 2 0 0 0 0 10 51 2 0 0 0 0 11 55 2 0 0 0 0 12 23 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 29 1 0 0 0 0 13 32 1 0 0 0 0 13 68 1 0 0 0 0 14 28 1 0 0 0 0 14 34 1 0 0 0 0 14 69 1 0 0 0 0 15 35 1 0 0 0 0 15 37 1 0 0 0 0 15 75 1 0 0 0 0 16 36 1 0 0 0 0 16 46 1 0 0 0 0 16 80 1 0 0 0 0 17 39 1 0 0 0 0 17 84 1 0 0 0 0 17 85 1 0 0 0 0 18 45 1 0 0 0 0 18 55 1 0 0 0 0 18 94 1 0 0 0 0 19 50 1 0 0 0 0 19 51 1 0 0 0 0 19 95 1 0 0 0 0 20 56 1 0 0 0 0 20 57 2 0 0 0 0 21 57 1 0 0 0 0 21103 1 0 0 0 0 21104 1 0 0 0 0 22 57 1 0 0 0 0 22105 1 0 0 0 0 22106 1 0 0 0 0 23 24 1 0 0 0 0 23 29 1 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 26 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 26 63 1 0 0 0 0 26 64 1 0 0 0 0 27 28 1 0 0 0 0 28 30 1 0 0 0 0 28 65 1 0 0 0 0 30 31 1 0 0 0 0 30 66 1 0 0 0 0 30 67 1 0 0 0 0 31 33 1 0 0 0 0 31 35 2 0 0 0 0 32 38 1 0 0 0 0 32 39 1 0 0 0 0 32 70 1 0 0 0 0 33 37 1 0 0 0 0 33 40 2 0 0 0 0 34 36 1 0 0 0 0 35 71 1 0 0 0 0 36 41 1 0 0 0 0 36 72 1 0 0 0 0 37 42 2 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 40 43 1 0 0 0 0 40 76 1 0 0 0 0 41 48 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 42 44 1 0 0 0 0 42 79 1 0 0 0 0 43 44 2 0 0 0 0 43 81 1 0 0 0 0 44 82 1 0 0 0 0 45 47 1 0 0 0 0 45 51 1 0 0 0 0 45 83 1 0 0 0 0 46 50 1 0 0 0 0 47 49 1 0 0 0 0 47 86 1 0 0 0 0 47 87 1 0 0 0 0 49 52 1 0 0 0 0 49 88 1 0 0 0 0 49 89 1 0 0 0 0 50 90 1 0 0 0 0 50 91 1 0 0 0 0 52 56 1 0 0 0 0 52 92 1 0 0 0 0 52 93 1 0 0 0 0 53 54 1 0 0 0 0 53 96 1 0 0 0 0 53 97 1 0 0 0 0 54 55 1 0 0 0 0 54 98 1 0 0 0 0 54 99 1 0 0 0 0 56100 1 0 0 0 0 56101 1 0 0 0 0 M END > DB00063 > Eptifibatide > SMP00266 $$$$ 1195 48 49 0 1 0 0 0 0 0999 V2000 2.3660 -0.9330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 0.7990 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -4.0670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 -4.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 -2.7010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.9330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9282 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 3.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 1.9581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 1.9581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 3.0407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 2.3504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 4.5156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 3.8254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 4.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 4.9080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 4.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5856 2.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 3.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 1.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -3.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -2.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 5 28 1 0 0 0 0 6 28 1 0 0 0 0 7 18 2 0 0 0 0 8 20 1 0 0 0 0 8 25 1 0 0 0 0 9 22 1 0 0 0 0 9 26 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 10 38 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 41 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 27 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 M END > DB01195 > Flecainide > SMP00331 $$$$ 630 27 26 0 0 0 0 0 0 0999 V2000 5.1350 -0.5880 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.5880 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -1.9540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -1.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.0880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.7220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 2.2780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 -0.2220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7690 0.7780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 1.2780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1864 -0.0099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3679 -0.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3796 0.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 1.3606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2924 1.3857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6909 0.6954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 -2.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.5320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2550 -1.4540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 -0.7220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4399 2.5880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 2 11 1 0 0 0 0 3 11 1 0 0 0 0 3 21 1 0 0 0 0 4 22 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 10 14 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 M END > DB00630 > Alendronate > SMP00095 $$$$ 527 54 55 0 0 0 0 0 0 0999 V2000 3.7321 2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 0.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 2.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 1.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -2.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -4.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -3.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -4.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2181 -5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9781 -5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4766 4.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0781 5.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 -0.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2169 2.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 0.4171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 5.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 4.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 2.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 14 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 4 7 1 0 0 0 0 4 14 1 0 0 0 0 4 34 1 0 0 0 0 5 15 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 11 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 12 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 16 2 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 15 1 0 0 0 0 13 21 2 0 0 0 0 15 22 2 0 0 0 0 16 18 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 25 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 23 1 0 0 0 0 21 48 1 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 54 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 25 53 1 0 0 0 0 M END > DB00527 > Dibucaine > SMP00396 $$$$ 384 30 32 0 0 0 0 0 0 0999 V2000 5.4641 -0.5721 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 1.4626 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.0929 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.4279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 -1.6067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 1.4521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 -0.6067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 0.9487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.0479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7458 -1.9229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 -1.9104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5324 1.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9918 2.0721 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 9 1 0 0 0 0 2 11 1 0 0 0 0 2 12 2 0 0 0 0 3 11 2 0 0 0 0 3 16 1 0 0 0 0 4 13 1 0 0 0 0 4 16 2 0 0 0 0 5 12 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 13 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 16 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 15 18 2 0 0 0 0 15 21 1 0 0 0 0 17 19 2 0 0 0 0 17 22 1 0 0 0 0 18 19 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 M END > DB00384 > Triamterene > SMP00132 $$$$ 266 37 40 0 0 0 0 0 0 0999 V2000 2.3397 -0.5445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3421 2.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6404 1.1614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6101 2.8140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2941 -1.0654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3421 -0.1860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6101 0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9673 0.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4761 1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3093 -0.8917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3421 0.8140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6665 -1.6578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2081 1.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9825 0.2216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4761 2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6818 -1.4842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2081 2.3140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0378 -2.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1021 0.7794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1021 2.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -3.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0081 1.2932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3486 -3.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0081 2.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5381 1.4298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0086 0.3391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6496 -2.7316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0949 0.1594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3907 -2.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0949 3.4686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5887 -4.0158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5439 0.9811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9483 -3.7266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5439 2.6469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0299 1.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6101 3.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 14 1 0 0 0 0 3 36 1 0 0 0 0 4 15 1 0 0 0 0 4 37 1 0 0 0 0 5 10 2 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 13 17 1 0 0 0 0 13 19 2 0 0 0 0 16 20 2 0 0 0 0 17 21 2 0 0 0 0 18 22 1 0 0 0 0 18 28 1 0 0 0 0 19 23 1 0 0 0 0 19 29 1 0 0 0 0 20 24 1 0 0 0 0 20 30 1 0 0 0 0 21 25 1 0 0 0 0 21 31 1 0 0 0 0 22 24 2 0 0 0 0 22 32 1 0 0 0 0 23 25 2 0 0 0 0 23 33 1 0 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 M END > DB00266 > Dicumarol > SMP00270 $$$$ 1050 33 33 0 1 0 0 0 0 0999 V2000 4.5981 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.8450 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.0473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -2.7376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 2.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 2.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 1.8081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 33 1 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 16 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 10 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 12 1 0 0 0 0 10 26 1 0 0 0 0 11 13 2 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 M END > DB01050 > Ibuprofen > SMP00086 $$$$ 461 33 34 0 0 0 0 0 0 0999 V2000 9.8603 1.5068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -0.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 1.0035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -0.0381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.0102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 -0.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -0.9923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 -1.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 2.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -0.3502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.5543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4203 0.4720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2663 0.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0361 1.5483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 17 1 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 7 2 0 0 0 0 3 9 1 0 0 0 0 4 8 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 20 1 0 0 0 0 8 15 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 11 14 2 0 0 0 0 11 25 1 0 0 0 0 12 13 2 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 14 27 1 0 0 0 0 15 16 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 0 0 0 0 M END > DB00461 > Nabumetone > SMP00114 $$$$ 960 38 39 0 1 0 0 0 0 0999 V2000 5.4641 -0.5530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.4470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2763 -3.3577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9470 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7321 1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2763 -1.7482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -2.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.8644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.3270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.6356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 0.0547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 3.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 3.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.9101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 2.9840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -1.1589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -3.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4800 -2.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 34 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 23 1 0 0 0 0 4 13 1 0 0 0 0 4 17 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 19 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 22 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 32 1 0 0 0 0 15 18 1 0 0 0 0 15 33 1 0 0 0 0 16 18 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 M END > DB00960 > Pindolol > SMP00306 $$$$ 1359 50 51 0 1 0 0 0 0 0999 V2000 7.1962 -0.2694 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.7306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.2694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.7306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7372 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1192 1.3184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4282 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4282 2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2694 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -1.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4806 0.4491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0472 0.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3036 1.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5528 1.5705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8092 0.7814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3634 2.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0347 2.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4930 2.8860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8218 2.3983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.4594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1995 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -1.2444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.3506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 -2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.0794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8291 -1.9454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6760 -2.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0560 0.6335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8291 -0.2134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.8064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.8894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 1.0406 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 15 1 0 0 0 0 13 2 1 6 0 0 0 2 50 1 0 0 0 0 3 12 1 0 0 0 0 3 14 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 4 22 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 16 2 0 0 0 0 11 17 1 0 0 0 0 11 31 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 12 20 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 21 1 0 0 0 0 16 38 1 0 0 0 0 17 21 2 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 M END > DB01359 > Penbutolol > SMP00305 $$$$ 214 44 45 0 0 0 0 0 0 0999 V2000 7.1962 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1962 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5252 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5482 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3082 3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.9631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 4 15 2 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 26 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 27 1 0 0 0 0 7 15 1 0 0 0 0 7 28 1 0 0 0 0 8 16 2 0 0 0 0 8 21 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 20 2 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 16 35 1 0 0 0 0 17 21 2 0 0 0 0 17 36 1 0 0 0 0 18 19 2 0 0 0 0 18 37 1 0 0 0 0 19 22 1 0 0 0 0 19 24 1 0 0 0 0 20 23 1 0 0 0 0 20 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 M END > DB00214 > Torasemide > SMP00118 $$$$ 465 32 34 0 1 0 0 0 0 0999 V2000 8.4299 -2.2496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7836 -2.7876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 2.2151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1945 0.2119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1407 -1.0928 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7243 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1407 0.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1945 -0.7881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 0.5209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2435 -1.0971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6557 -0.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4514 -2.0433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 1.4720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 1.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 0.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 2.6310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 1.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 2.8389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7532 -1.1890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1852 -0.7028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1852 0.1266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6781 0.8259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8897 1.0836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0519 -1.6868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0357 -0.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6225 -2.8389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4788 0.3471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0621 3.0917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8942 0.6839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4775 3.4285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3935 2.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 27 1 0 0 0 0 2 12 2 0 0 0 0 3 13 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 M END > DB00465 > Ketorolac > SMP00098 $$$$ 580 36 38 0 0 0 0 0 0 0999 V2000 3.7601 -2.1144 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2601 3.4244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7601 -2.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7601 -2.1144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2601 3.4244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -3.1144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 1.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 0.8856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 2.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 2.4734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7601 -1.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 0.3856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5201 2.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6261 -0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8940 -0.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2633 2.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7281 1.1862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2143 2.5245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6791 0.8772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4223 1.5463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 0.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 0.6956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1630 -0.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3571 -0.9244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 1.5747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 1.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 2.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1344 3.4399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2673 0.7713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6751 2.9393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8080 0.2707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0119 1.3547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2970 -3.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2231 -3.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 10 1 0 0 0 0 5 9 2 0 0 0 0 6 35 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 2 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 10 17 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 15 1 0 0 0 0 12 23 1 0 0 0 0 13 16 2 0 0 0 0 13 24 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 19 21 2 0 0 0 0 19 31 1 0 0 0 0 20 22 2 0 0 0 0 20 32 1 0 0 0 0 21 22 1 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 M END > DB00580 > Valdecoxib > SMP00116 $$$$ 721 37 37 0 0 0 0 0 0 0999 V2000 3.7321 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 4.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 1.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 3.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 2.8224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 3.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.9876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1121 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 5.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3521 4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 11 2 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 15 1 0 0 0 0 4 36 1 0 0 0 0 4 37 1 0 0 0 0 5 8 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 6 9 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 7 23 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 32 1 0 0 0 0 14 17 2 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 M END > DB00721 > Procaine > SMP00402 $$$$ 1129 46 48 0 1 0 0 0 0 0999 V2000 6.2619 1.4680 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 9.7619 -1.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -2.8621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.2728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.6633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.4680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -2.8621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -0.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 0.3900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -0.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 -0.9180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 -2.6066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 -2.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 -0.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -1.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 0.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1542 -1.3855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8445 -1.7840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 2.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -3.4821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3819 -2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -2.2421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 19 1 0 0 0 0 3 25 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 5 32 1 0 0 0 0 6 12 2 0 0 0 0 6 16 1 0 0 0 0 7 9 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 13 16 1 0 0 0 0 13 20 2 0 0 0 0 14 15 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 22 2 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 21 2 0 0 0 0 18 36 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 23 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 22 24 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 42 1 0 0 0 0 24 43 1 0 0 0 0 25 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M END > DB01129 > Rabeprazole > SMP00229 $$$$ 1095 56 58 0 1 0 0 0 0 0999 V2000 5.9209 4.0355 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.5714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.4374 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -4.0355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -2.3034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.3761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 -2.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 -3.0709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -2.5328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.4374 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2619 -2.3034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.4374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.3034 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 -1.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.9282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.3901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -3.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 2.8787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 2.3406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 3.0849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -3.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1815 -2.9159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 -0.0344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8596 -2.6568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9070 -3.5324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7826 -3.4850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0953 -1.9262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5741 -2.6607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8396 -3.1395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -0.9004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3695 -2.9140 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6793 -2.5155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -1.9743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8819 -2.3034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.3814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.2386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 1.8003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 0.9286 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8695 -3.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1793 -3.3815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 3.3402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 2.4685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8819 -0.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 -1.4374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8819 -4.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 29 1 0 0 0 0 18 2 1 6 0 0 0 2 54 1 0 0 0 0 21 3 1 6 0 0 0 3 55 1 0 0 0 0 4 30 1 0 0 0 0 4 56 1 0 0 0 0 5 30 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 31 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 16 2 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 17 2 0 0 0 0 12 20 2 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 24 2 0 0 0 0 15 25 1 0 0 0 0 16 22 1 0 0 0 0 16 39 1 0 0 0 0 17 23 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 41 1 0 0 0 0 19 21 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 21 26 1 0 0 0 0 21 45 1 0 0 0 0 22 23 2 0 0 0 0 22 46 1 0 0 0 0 23 47 1 0 0 0 0 24 27 1 0 0 0 0 24 48 1 0 0 0 0 25 28 2 0 0 0 0 25 49 1 0 0 0 0 26 30 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 M END > DB01095 > Fluvastatin > SMP00119 $$$$ 1056 30 30 0 1 0 0 0 0 0999 V2000 5.4641 0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 4 1 0 0 0 0 2 8 1 0 0 0 0 2 16 1 0 0 0 0 3 7 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 5 9 1 0 0 0 0 5 11 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 9 13 2 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 M END > DB01056 > Tocainide > SMP00330 $$$$ 479 83 85 0 1 0 0 0 0 0999 V2000 6.8671 1.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5992 -2.8865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 3.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5991 -1.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 3.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 -2.8865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5992 -4.6185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.8455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.1545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.8455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.1545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.8455 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 -4.6186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.6545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 -0.6545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 0.3455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 0.3455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8671 -1.1545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0010 -0.6545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.3455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0992 -2.0205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7331 3.3455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5991 3.8455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0991 -2.0205 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4651 3.3455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5991 -2.8865 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 2.3455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0992 -3.7525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0992 -3.7525 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 0.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.8455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5992 -4.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.6545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4030 -1.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.1545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7890 -1.2371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3905 -0.5468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.6555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4092 -1.4835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.9655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7191 -2.0205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.4645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 3.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9091 -2.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.7255 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7192 -3.7525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4792 -3.7526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9417 1.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5432 2.4281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4915 -5.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1818 -4.8306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 5.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 5.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 4.4655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2191 -1.1545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 3.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9091 -3.4235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2892 -5.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1909 -0.5719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7924 -1.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2891 -5.1555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2891 -4.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8681 0.5355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6150 -2.7371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0135 -2.0468 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 6 0 0 0 25 1 1 6 0 0 0 20 2 1 6 0 0 0 26 2 1 6 0 0 0 22 3 1 1 0 0 0 3 59 1 0 0 0 0 4 25 1 0 0 0 0 4 32 1 0 0 0 0 5 26 1 0 0 0 0 5 34 1 0 0 0 0 27 6 1 6 0 0 0 6 69 1 0 0 0 0 29 7 1 6 0 0 0 7 70 1 0 0 0 0 30 8 1 6 0 0 0 8 71 1 0 0 0 0 31 9 1 1 0 0 0 9 72 1 0 0 0 0 33 10 1 6 0 0 0 10 73 1 0 0 0 0 11 35 2 0 0 0 0 12 36 1 0 0 0 0 12 78 1 0 0 0 0 38 13 1 1 0 0 0 13 79 1 0 0 0 0 21 14 1 1 0 0 0 14 35 1 0 0 0 0 14 50 1 0 0 0 0 23 15 1 1 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 28 16 1 1 0 0 0 16 66 1 0 0 0 0 16 67 1 0 0 0 0 17 37 1 0 0 0 0 17 76 1 0 0 0 0 17 77 1 0 0 0 0 18 40 1 0 0 0 0 18 82 1 0 0 0 0 18 83 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 41 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 24 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 25 27 1 0 0 0 0 25 48 1 0 0 0 0 26 29 1 0 0 0 0 26 49 1 0 0 0 0 27 28 1 0 0 0 0 27 51 1 0 0 0 0 28 30 1 0 0 0 0 28 52 1 0 0 0 0 29 31 1 0 0 0 0 29 53 1 0 0 0 0 30 32 1 0 0 0 0 30 56 1 0 0 0 0 31 33 1 0 0 0 0 31 57 1 0 0 0 0 32 36 1 1 0 0 0 32 58 1 0 0 0 0 33 34 1 0 0 0 0 33 60 1 0 0 0 0 34 37 1 1 0 0 0 34 61 1 0 0 0 0 35 38 1 0 0 0 0 36 62 1 0 0 0 0 36 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 38 39 1 0 0 0 0 38 68 1 0 0 0 0 39 40 1 0 0 0 0 39 74 1 0 0 0 0 39 75 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 M END > DB00479 > Amikacin > SMP00253 $$$$ 381 53 54 0 1 0 0 0 0 0999 V2000 8.1810 2.9836 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7050 2.0760 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3100 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.7849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.7726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.0823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 0.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 1.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 15 1 0 0 0 0 2 24 1 0 0 0 0 3 16 1 0 0 0 0 3 25 1 0 0 0 0 4 18 1 0 0 0 0 4 27 1 0 0 0 0 5 16 2 0 0 0 0 6 18 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 30 1 0 0 0 0 8 26 1 0 0 0 0 8 52 1 0 0 0 0 8 53 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 29 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 13 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 14 20 2 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 26 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 25 28 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 28 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 M END > DB00381 > Amlodipine > SMP00376 $$$$ 736 43 45 0 1 0 0 0 0 0999 V2000 7.9939 0.6020 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 11.4939 -1.9961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 1.4680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6020 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.4067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.2027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 0.6020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4939 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6016 -0.8746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9113 -0.4761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6029 1.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9570 -1.6861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1839 -2.5330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0309 -2.3061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3039 1.1389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.2080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -0.8840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 0.3560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1139 -0.2640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -2.6161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1139 -1.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -1.3761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.6389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 13 1 0 0 0 0 2 23 1 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 27 1 0 0 0 0 6 11 2 0 0 0 0 6 14 1 0 0 0 0 7 9 2 0 0 0 0 7 18 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 12 14 2 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 14 19 1 0 0 0 0 15 18 2 0 0 0 0 15 22 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 17 20 2 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 21 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END > DB00736 > Esomeprazole > SMP00225 $$$$ 808 40 42 0 1 0 0 0 0 0999 V2000 7.2101 3.3818 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.5458 1.8932 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6353 -1.1646 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3396 2.8717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7520 0.9147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.5770 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.9889 -0.6265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5243 2.0994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.3818 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 -3.1865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 -0.4203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 0.5302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2566 0.7364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 1.6870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 1.2745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8994 2.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9209 2.2250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 -1.8295 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4272 -3.7534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2157 -3.4957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8819 -2.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -3.0018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5749 -0.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.0018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.1918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6707 0.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0036 1.1467 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5069 2.6865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7169 2.6887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9383 1.6379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 21 1 0 0 0 0 3 18 2 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 18 1 0 0 0 0 7 31 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 25 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 16 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 22 24 2 0 0 0 0 22 37 1 0 0 0 0 23 24 1 0 0 0 0 24 38 1 0 0 0 0 M END > DB00808 > Indapamide > SMP00110 $$$$ 1324 38 39 0 1 0 0 0 0 0999 V2000 9.1282 -0.1521 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -2.1763 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 0.8237 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.1282 -2.2004 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 3.3237 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.3237 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 2.3237 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -3.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0981 -3.0423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6315 -1.3363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6249 -3.0645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -1.6763 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.5981 -0.1763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9923 -2.7037 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -0.6763 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.4641 -1.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 -0.6763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -0.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3580 -2.2109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3580 -0.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2641 -1.6971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2641 -0.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 1.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 2.3237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1951 -0.9863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.4437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2554 -0.0686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6540 -0.7589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1760 -2.7132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3291 -2.4863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5560 -1.6393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3509 -2.8309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3509 0.4784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3894 1.4314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7879 0.7411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9899 -3.3237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5304 -2.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 18 1 0 0 0 0 3 24 1 0 0 0 0 4 10 2 0 0 0 0 4 11 2 0 0 0 0 4 14 1 0 0 0 0 4 22 1 0 0 0 0 5 25 1 0 0 0 0 6 25 1 0 0 0 0 7 25 1 0 0 0 0 12 15 1 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 13 17 1 0 0 0 0 13 27 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 18 1 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 17 21 2 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 24 25 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 M END > DB01324 > Polythiazide > SMP00080 $$$$ 1115 43 44 0 0 0 0 0 0 0999 V2000 8.0622 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.0622 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.8100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 -1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 -2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 -1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 -2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 24 1 0 0 0 0 2 18 1 0 0 0 0 2 25 1 0 0 0 0 3 17 2 0 0 0 0 4 18 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 27 1 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 26 1 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 15 1 0 0 0 0 12 16 2 0 0 0 0 13 19 1 0 0 0 0 14 20 1 0 0 0 0 15 21 2 0 0 0 0 16 22 1 0 0 0 0 16 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 M CHG 2 5 -1 8 1 M END > DB01115 > Nifedipine > SMP00379 $$$$ 884 28 28 0 0 0 0 0 0 0999 V2000 3.4030 1.7132 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.7690 1.3471 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 4.4030 -0.0189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 2.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 1.2132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 1.8471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2690 0.4811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7450 2.6529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9426 2.3319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 -2.1529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 0.3471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -0.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1709 -1.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -2.1529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -2.6529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8249 0.9298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4264 0.2395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0930 -0.5558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -0.8429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6340 -0.8429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2830 2.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 2.4671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 0.4811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 -2.4629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0369 -3.2729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 2 11 1 0 0 0 0 3 11 1 0 0 0 0 3 20 1 0 0 0 0 4 23 1 0 0 0 0 5 24 1 0 0 0 0 6 25 1 0 0 0 0 7 26 1 0 0 0 0 10 15 1 0 0 0 0 10 17 2 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 M END > DB00884 > Risedronate > SMP00112 $$$$ 778 134136 0 1 0 0 0 0 0999 V2000 5.5000 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2589 -3.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -2.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 2.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 4.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9659 1.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7340 1.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5000 -2.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5000 -4.6471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.9151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -2.0490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -1.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0000 -0.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0000 -2.0490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5000 0.5490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0000 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.4151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5000 -1.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0000 -2.0490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0000 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.4151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0000 3.1471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0000 -2.0490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2929 -2.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.9151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5000 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -0.3170 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0000 1.4151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0000 3.1471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5000 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 0.5490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0000 -3.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.2811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0000 -3.7811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5000 2.2811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0000 1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 3.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8192 0.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 3.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 4.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5000 -2.9151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0000 -3.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0000 -3.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5000 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 -0.6461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 -0.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 1.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5826 -2.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8923 -2.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 1.9520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -0.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -1.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 0.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -0.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 -0.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 0.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -2.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7313 -3.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8545 -3.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8545 -2.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -3.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9749 1.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9749 2.6796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3100 -0.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 3.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 0.1505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -4.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 -3.9931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 1.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -3.7811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1900 2.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8577 -3.1754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0369 2.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 2.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9631 1.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8800 -1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -1.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 3.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 3.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 4.1841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -0.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6200 -0.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 0.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4635 0.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3270 0.4859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1748 1.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 3.5456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.7486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 2.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.9011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -5.1841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0369 -4.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9631 -4.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1264 2.2728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 4.0131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1325 1.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.3180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.7390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0369 4.3231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1900 4.5501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9631 3.7031 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 4.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 4.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 5.1841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9174 -3.1271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6077 -3.5256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1077 -4.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4174 -3.9931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8923 -3.1705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5826 -3.5690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5000 -5.2671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1200 -4.6471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5000 -4.0271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18 1 1 6 0 0 0 25 1 1 6 0 0 0 21 2 1 6 0 0 0 27 2 1 6 0 0 0 20 3 1 1 0 0 0 3 86 1 0 0 0 0 4 25 1 0 0 0 0 4 40 1 0 0 0 0 5 27 1 0 0 0 0 5 39 1 0 0 0 0 6 41 1 0 0 0 0 6 42 1 0 0 0 0 28 7 1 6 0 0 0 7 54 1 0 0 0 0 29 8 1 1 0 0 0 8110 1 0 0 0 0 34 9 1 1 0 0 0 9111 1 0 0 0 0 35 10 1 6 0 0 0 10112 1 0 0 0 0 37 11 1 1 0 0 0 11113 1 0 0 0 0 12 42 2 0 0 0 0 13 17 1 0 0 0 0 13 55 1 0 0 0 0 14 55 1 0 0 0 0 14 56 1 0 0 0 0 15 57 1 0 0 0 0 15 58 1 0 0 0 0 31 16 1 6 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 36 2 3 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 59 1 0 0 0 0 19 21 1 0 0 0 0 19 26 1 6 0 0 0 19 60 1 0 0 0 0 20 22 1 0 0 0 0 20 30 1 0 0 0 0 21 23 1 0 0 0 0 21 61 1 0 0 0 0 22 24 1 0 0 0 0 22 62 1 0 0 0 0 22 63 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 1 0 0 0 23 64 1 0 0 0 0 24 36 1 0 0 0 0 24 44 1 1 0 0 0 24 65 1 0 0 0 0 25 29 1 0 0 0 0 25 66 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 32 1 0 0 0 0 27 67 1 0 0 0 0 28 32 1 0 0 0 0 28 35 1 0 0 0 0 28 45 1 0 0 0 0 29 31 1 0 0 0 0 29 71 1 0 0 0 0 30 72 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 31 38 1 0 0 0 0 31 75 1 0 0 0 0 32 76 1 0 0 0 0 32 77 1 0 0 0 0 33 36 1 0 0 0 0 33 37 1 0 0 0 0 33 46 1 1 0 0 0 33 78 1 0 0 0 0 34 37 1 0 0 0 0 34 41 1 0 0 0 0 34 47 1 0 0 0 0 35 39 1 0 0 0 0 35 79 1 0 0 0 0 37 80 1 0 0 0 0 38 40 1 0 0 0 0 38 81 1 0 0 0 0 38 82 1 0 0 0 0 39 49 1 1 0 0 0 39 83 1 0 0 0 0 40 50 1 6 0 0 0 40 84 1 0 0 0 0 41 48 1 6 0 0 0 41 85 1 0 0 0 0 43 87 1 0 0 0 0 43 88 1 0 0 0 0 43 89 1 0 0 0 0 44 90 1 0 0 0 0 44 91 1 0 0 0 0 44 92 1 0 0 0 0 45 93 1 0 0 0 0 45 94 1 0 0 0 0 45 95 1 0 0 0 0 46 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 47 99 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 48 53 1 0 0 0 0 48102 1 0 0 0 0 48103 1 0 0 0 0 49104 1 0 0 0 0 49105 1 0 0 0 0 49106 1 0 0 0 0 50107 1 0 0 0 0 50108 1 0 0 0 0 50109 1 0 0 0 0 51114 1 0 0 0 0 51115 1 0 0 0 0 51116 1 0 0 0 0 52117 1 0 0 0 0 52118 1 0 0 0 0 52119 1 0 0 0 0 53120 1 0 0 0 0 53121 1 0 0 0 0 53122 1 0 0 0 0 54123 1 0 0 0 0 54124 1 0 0 0 0 54125 1 0 0 0 0 55126 1 0 0 0 0 55127 1 0 0 0 0 56 57 1 0 0 0 0 56128 1 0 0 0 0 56129 1 0 0 0 0 57130 1 0 0 0 0 57131 1 0 0 0 0 58132 1 0 0 0 0 58133 1 0 0 0 0 58134 1 0 0 0 0 M END > DB00778 > Roxithromycin > SMP00251 $$$$ 453 60 63 0 1 0 0 0 0 0999 V2000 12.2515 -2.0023 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 1.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9158 -1.8311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6658 2.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4143 2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4159 1.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 -0.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2515 2.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1396 2.0995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.6095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9174 -1.9592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.6029 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.4246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5319 -0.4246 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6658 -0.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 0.5754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9059 -0.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4258 -0.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5319 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6658 1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9059 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3319 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4258 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9998 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3319 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9158 -1.8195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2630 -1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7892 -2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0573 -2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2630 1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1357 1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2068 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2068 0.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.1062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8060 -1.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5257 -1.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0644 -1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2673 -1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3720 -1.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4491 -2.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5996 -2.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3825 -1.5033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4898 2.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5996 -2.3644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0930 -1.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3297 -2.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4854 -2.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3734 -3.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5239 -2.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7411 -1.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9476 2.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7426 -0.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7426 0.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2654 -0.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7848 2.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 2.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0070 1.5827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8040 1.5796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 16 2 1 6 0 0 0 2 44 1 0 0 0 0 18 3 1 1 0 0 0 3 45 1 0 0 0 0 4 20 2 0 0 0 0 5 24 1 0 0 0 0 5 52 1 0 0 0 0 6 21 2 0 0 0 0 7 23 2 0 0 0 0 8 31 1 0 0 0 0 8 56 1 0 0 0 0 9 32 1 0 0 0 0 9 57 1 0 0 0 0 10 35 1 0 0 0 0 10 60 1 0 0 0 0 17 11 1 6 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 32 1 0 0 0 0 12 35 1 0 0 0 0 12 55 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 6 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 37 1 6 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 23 1 0 0 0 0 17 40 1 0 0 0 0 18 22 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 21 25 1 0 0 0 0 22 26 1 0 0 0 0 22 28 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 32 2 0 0 0 0 26 31 2 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 28 33 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 30 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 31 34 1 0 0 0 0 33 34 2 0 0 0 0 33 53 1 0 0 0 0 34 54 1 0 0 0 0 35 58 1 0 0 0 0 35 59 1 0 0 0 0 M END > DB00453 > Clomocycline > SMP00262 $$$$ 1418 41 43 0 1 0 0 0 0 0999 V2000 8.0622 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2500 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8660 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7500 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8221 -0.2847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8221 1.7847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 0.2292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7282 1.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8150 -0.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0841 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8150 2.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2639 -0.0829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2639 1.5829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 41 1 0 0 0 0 3 12 2 0 0 0 0 4 17 2 0 0 0 0 5 7 1 0 0 0 0 6 7 2 0 0 0 0 7 21 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 10 17 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 14 18 1 0 0 0 0 14 22 2 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 16 20 2 0 0 0 0 16 31 1 0 0 0 0 17 23 1 0 0 0 0 18 24 2 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 22 25 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M CHG 2 5 -1 7 1 M END > DB01418 > Acenocoumarol > SMP00269 $$$$ 379 30 30 0 1 0 0 0 0 0999 V2000 3.7321 0.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.5981 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.1074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.7977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.2731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 3 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 16 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 7 10 2 0 0 0 0 7 13 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 9 11 2 0 0 0 0 9 20 1 0 0 0 0 10 11 1 0 0 0 0 10 21 1 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 M END > DB00379 > Mexiletine > SMP00329 $$$$ 1340 64 65 0 1 0 0 0 0 0999 V2000 7.1426 2.5300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5458 0.2625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 1.8316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1227 6.4846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5081 4.7960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 4.7530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5588 3.1535 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4598 2.7196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5582 4.3510 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5536 1.6822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5833 4.1284 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.6892 2.5801 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3363 4.1284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6976 1.0889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9598 4.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7591 1.5408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9598 4.9103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3608 3.1535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8530 5.3065 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4596 1.2588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 6.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4676 6.9952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8279 5.5291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7874 7.7282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8125 7.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0821 8.6838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0976 6.7072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1323 8.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4020 9.4168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 7.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4270 9.1943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0612 2.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7881 4.7137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4415 3.1484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0869 2.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9497 4.6132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7777 3.8594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3369 0.5845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1327 0.6472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8218 5.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5184 5.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1425 1.6057 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5896 0.9444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4012 5.1793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0978 5.5147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9799 3.8965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2485 5.1686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7984 5.5454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6211 6.3224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8419 7.4894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0193 6.7123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1075 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6297 6.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6866 8.8218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7128 6.6301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1285 6.0879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5278 8.1008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5847 10.0093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9848 7.4800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5751 8.2552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7999 7.8455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0053 9.6488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 5.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 5.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 20 1 0 0 0 0 2 52 1 0 0 0 0 3 20 2 0 0 0 0 4 23 1 0 0 0 0 4 27 1 0 0 0 0 5 23 2 0 0 0 0 6 63 1 0 0 0 0 6 64 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 11 9 1 6 0 0 0 19 9 1 1 0 0 0 9 46 1 0 0 0 0 10 14 1 0 0 0 0 10 20 1 6 0 0 0 10 32 1 0 0 0 0 11 15 1 0 0 0 0 11 18 1 0 0 0 0 11 33 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 17 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 19 47 1 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 24 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 28 1 0 0 0 0 25 53 1 0 0 0 0 26 29 2 0 0 0 0 26 54 1 0 0 0 0 27 30 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 31 2 0 0 0 0 28 57 1 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 62 1 0 0 0 0 M END > DB01340 > Cilazapril > SMP00147 $$$$ 439 67 68 0 1 0 0 0 0 0999 V2000 10.3312 3.6160 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -0.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.8840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.6160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.3840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9651 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -2.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9651 -2.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4652 -3.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -1.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -3.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3840 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4651 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.1160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.6160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7953 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.3840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6551 -3.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6002 -2.6940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6647 0.0910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4617 0.0910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.3589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -1.3589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9650 -3.3699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3451 -2.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9651 -2.1299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0021 -3.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7752 -4.1529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9283 -3.9261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6192 -1.3470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4662 -1.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2392 -2.4209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4432 -3.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -4.0040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6832 -3.3840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4232 -1.4210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 -0.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 0.8060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.3589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.3589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 2.4260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1053 -0.9209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3322 -0.0740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4853 0.1530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 15 1 0 0 0 0 2 32 1 0 0 0 0 18 3 1 6 0 0 0 3 62 1 0 0 0 0 25 4 1 6 0 0 0 4 63 1 0 0 0 0 5 33 1 0 0 0 0 5 67 1 0 0 0 0 6 33 2 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 9 13 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 16 1 0 0 0 0 13 19 1 0 0 0 0 13 20 1 0 0 0 0 13 34 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 26 2 0 0 0 0 16 27 1 0 0 0 0 17 24 2 0 0 0 0 17 38 1 0 0 0 0 18 23 1 0 0 0 0 18 24 1 0 0 0 0 18 39 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 22 53 1 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 54 1 0 0 0 0 25 28 1 0 0 0 0 25 55 1 0 0 0 0 26 29 1 0 0 0 0 26 56 1 0 0 0 0 27 30 2 0 0 0 0 27 57 1 0 0 0 0 28 33 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 31 2 0 0 0 0 29 60 1 0 0 0 0 30 31 1 0 0 0 0 30 61 1 0 0 0 0 32 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 M END > DB00439 > Cerivastatin > SMP00111 $$$$ 513 22 21 0 0 0 0 0 0 0999 V2000 2.5369 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 1.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 1.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 -0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 1.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 1.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1316 1.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3346 1.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 22 1 0 0 0 0 2 9 2 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 3 21 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 M END > DB00513 > Aminocaproic Acid > SMP00286 $$$$ 399 26 26 0 0 0 0 0 0 0999 V2000 4.4860 -1.4826 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.1200 -1.1166 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 0.2495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9860 -2.3486 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3521 -0.9826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -1.6166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 -0.2505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1440 -2.4223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9464 -2.1014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8521 0.8834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3521 2.4223 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9860 -0.6166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8521 -0.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 1.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6611 1.4712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3521 2.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0641 -0.6992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4626 -0.0089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7960 0.7864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4534 1.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2507 1.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6060 -2.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8890 -1.2926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2540 -2.2366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9876 2.9239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 8 2 0 0 0 0 1 12 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 2 12 1 0 0 0 0 3 12 1 0 0 0 0 3 19 1 0 0 0 0 4 22 1 0 0 0 0 5 23 1 0 0 0 0 6 24 1 0 0 0 0 7 25 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 16 2 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 16 26 1 0 0 0 0 M END > DB00399 > Zoledronate > SMP00107 $$$$ 606 40 43 0 1 0 0 0 0 0999 V2000 10.8189 0.9989 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.2887 -1.0253 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.8189 -1.0494 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7887 -1.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7887 -1.8913 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3222 -0.1853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3155 -1.9135 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4227 -0.5253 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2887 0.9747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6830 -1.5528 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5567 0.9747 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6248 0.4571 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.7588 0.9571 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.2979 1.9406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5849 2.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4227 0.4747 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -1.3749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1548 0.4747 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1548 -0.5253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0487 1.0094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0487 -1.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9548 -0.5461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9548 0.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4758 0.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0336 -0.0091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1921 0.5136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8906 2.1225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0948 2.5265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9837 2.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9534 2.6713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9597 0.1647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0653 -1.9620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4129 -1.0742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8858 -0.8353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2887 1.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0415 1.6293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0415 -1.6799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6806 -2.1728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2211 -1.2448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 20 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 3 10 1 0 0 0 0 3 23 1 0 0 0 0 8 16 1 0 0 0 0 8 35 1 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 36 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 16 1 0 0 0 0 11 25 1 0 0 0 0 12 15 1 0 0 0 0 12 17 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 21 24 1 0 0 0 0 21 37 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 M END > DB00606 > Cyclothiazide > SMP00103 $$$$ 1180 88 93 0 1 0 0 0 0 0999 V2000 10.9540 -2.0697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3536 -0.5153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2094 -2.5737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9357 -1.3999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7071 1.1803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6726 1.9031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2483 -1.5360 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9554 1.8551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5808 -0.0446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6152 2.1163 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 6.1621 0.9988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2698 0.1532 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9668 0.9273 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2526 0.3776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5891 -0.8837 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.9460 1.3731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6372 1.9154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0314 0.7181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6486 -1.1175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3746 -0.3112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.9679 1.5810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3061 3.0673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6589 2.5321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3280 3.2752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9114 -1.6191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6648 2.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3584 1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9313 -2.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9832 3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0198 0.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3492 1.3521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9689 3.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6498 2.1156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5317 -3.3090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9988 0.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6650 0.7720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6440 0.5678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3102 1.3136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9566 -0.3820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9356 -0.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2892 1.1094 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6018 0.1596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5820 -2.2817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6427 2.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2470 0.7011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7276 -0.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4951 1.5280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2246 -0.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6376 0.2992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7750 -1.4752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4062 0.7827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6509 2.5353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2503 2.0080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6444 0.8107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0451 1.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2548 -1.2476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5673 -0.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9201 3.1536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3278 3.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8022 3.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5602 3.8501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1611 0.3788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8001 -2.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5372 -2.4126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0625 -1.6755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1811 3.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1650 0.7601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5554 3.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9877 -3.7292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0758 -2.8888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1116 -3.7649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1926 -0.5627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4712 1.3609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4588 3.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5830 3.1018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5412 2.2260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1164 1.9025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5436 -0.8444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1197 -1.8687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1689 -2.7441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0443 -2.6948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2317 2.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4489 3.3939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0538 2.6111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.7094 0.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.6601 1.1635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7847 1.1142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19 1 1 6 0 0 0 1 28 1 0 0 0 0 20 2 1 1 0 0 0 2 30 1 0 0 0 0 3 25 1 0 0 0 0 3 34 1 0 0 0 0 4 25 2 0 0 0 0 5 30 2 0 0 0 0 6 33 1 0 0 0 0 6 37 1 0 0 0 0 7 41 1 0 0 0 0 7 44 1 0 0 0 0 8 42 1 0 0 0 0 8 45 1 0 0 0 0 9 43 1 0 0 0 0 9 46 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 10 22 1 0 0 0 0 11 21 1 0 0 0 0 11 27 1 0 0 0 0 11 63 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 47 1 6 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 13 48 1 6 0 0 0 14 16 1 0 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 19 1 0 0 0 0 15 25 1 1 0 0 0 15 51 1 0 0 0 0 16 21 1 0 0 0 0 16 52 1 1 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 20 58 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 59 1 0 0 0 0 22 60 1 0 0 0 0 23 24 1 0 0 0 0 23 26 1 0 0 0 0 24 61 1 0 0 0 0 24 62 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 31 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 28 66 1 0 0 0 0 29 32 2 0 0 0 0 29 67 1 0 0 0 0 30 35 1 0 0 0 0 31 33 2 0 0 0 0 31 68 1 0 0 0 0 32 33 1 0 0 0 0 32 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 35 36 2 3 0 0 0 35 73 1 0 0 0 0 36 38 1 0 0 0 0 36 74 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 42 1 0 0 0 0 39 78 1 0 0 0 0 40 41 2 0 0 0 0 40 79 1 0 0 0 0 41 43 1 0 0 0 0 42 43 2 0 0 0 0 44 80 1 0 0 0 0 44 81 1 0 0 0 0 44 82 1 0 0 0 0 45 83 1 0 0 0 0 45 84 1 0 0 0 0 45 85 1 0 0 0 0 46 86 1 0 0 0 0 46 87 1 0 0 0 0 46 88 1 0 0 0 0 M END > DB01180 > Rescinnamine > SMP00155 $$$$ 1098 61 62 0 1 0 0 0 0 0999 V2000 7.1962 -4.6270 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.3730 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.3730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6962 -3.7610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6962 -5.4930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.8730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.6270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.1270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6270 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.3730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0622 2.8730 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4641 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6962 -2.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6962 -0.7610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 3.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.6270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -5.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8862 -2.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 1.2904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 1.9807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 1.0630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 0.3730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1592 -2.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0062 -3.0299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2331 -2.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1592 -0.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0062 -0.2240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2331 -1.0710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5388 3.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1403 2.7904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -4.0901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -4.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -5.1639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.2470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 -5.6639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -5.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 -4.5901 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.9930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 5.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 30 1 0 0 0 0 2 33 1 0 0 0 0 16 3 1 6 0 0 0 3 49 1 0 0 0 0 17 4 1 1 0 0 0 4 50 1 0 0 0 0 7 29 1 0 0 0 0 7 61 1 0 0 0 0 8 29 2 0 0 0 0 9 13 2 0 0 0 0 9 24 1 0 0 0 0 10 24 1 0 0 0 0 10 26 1 0 0 0 0 11 18 1 0 0 0 0 11 24 2 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 37 1 0 0 0 0 17 23 1 0 0 0 0 17 38 1 0 0 0 0 18 25 1 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 23 29 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 31 1 0 0 0 0 27 54 1 0 0 0 0 28 32 2 0 0 0 0 28 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 30 58 1 0 0 0 0 31 33 2 0 0 0 0 31 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 M END > DB01098 > Rosuvastatin > SMP00092 $$$$ 270 48 50 0 1 0 0 0 0 0999 V2000 3.7321 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -1.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9283 -0.3099 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -1.0053 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -2.6147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3722 1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7522 2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.2269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.1531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4842 -0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1042 0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 24 1 0 0 0 0 2 19 1 0 0 0 0 2 27 1 0 0 0 0 3 16 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 19 2 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 6 29 1 0 0 0 0 7 15 2 0 0 0 0 8 21 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 14 2 0 0 0 0 11 19 1 0 0 0 0 12 15 1 0 0 0 0 12 17 2 0 0 0 0 13 18 1 0 0 0 0 14 20 1 0 0 0 0 15 21 1 0 0 0 0 17 22 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 22 23 2 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 M END > DB00270 > Isradipine > SMP00378 $$$$ 758 37 39 0 1 0 0 0 0 0999 V2000 2.8660 0.7500 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -2.0547 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3301 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 -0.4453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 -1.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -2.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 0.2249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 -2.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 -2.7249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3350 0.1441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3460 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1121 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3521 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 3 14 1 0 0 0 0 3 21 1 0 0 0 0 4 14 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 12 1 0 0 0 0 8 14 1 1 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 2 0 0 0 0 10 13 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 M END > DB00758 > Clopidogrel > SMP00260 $$$$ 866 41 41 0 1 0 0 0 0 0999 V2000 5.4641 -0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.7500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1962 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8067 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4082 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 2.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 1.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4422 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 -1.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 -1.2751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 19 1 0 0 0 0 5 20 1 0 0 0 0 5 21 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 22 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 17 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 15 1 0 0 0 0 13 35 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 15 16 2 0 0 0 0 15 37 1 0 0 0 0 16 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 M END > DB00866 > Alprenolol > SMP00297 $$$$ 1021 28 29 0 1 0 0 0 0 0999 V2000 2.8660 2.0737 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5737 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 1.0979 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.9263 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 -0.9504 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -1.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -1.7923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6315 -0.0863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6249 -1.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.4263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.0737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9923 -1.4537 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.5737 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 -0.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 -0.9609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.4471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3580 1.1084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 0.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.2637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.7363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.6937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 -1.5809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3509 1.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5304 -1.1458 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9899 -2.0737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 18 1 0 0 0 0 3 20 1 0 0 0 0 4 6 2 0 0 0 0 4 7 2 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 8 2 0 0 0 0 5 9 2 0 0 0 0 5 12 1 0 0 0 0 5 17 1 0 0 0 0 10 13 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 18 1 0 0 0 0 13 21 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 19 2 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 17 20 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 26 1 0 0 0 0 M END > DB01021 > Trichlormethiazide > SMP00121 $$$$ 1211 121123 0 1 0 0 0 0 0999 V2000 5.5000 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2589 -3.0149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -2.9151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 1.4151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 2.2811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 4.1471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -1.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.0131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9659 1.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7340 1.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 -2.0490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 0.5490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.9151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 -1.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0000 -0.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0000 -2.0490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5000 0.5490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0000 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0000 1.4151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.5000 -1.1830 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0000 -2.0490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0000 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2929 -2.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 1.4151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0000 -2.0490 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0000 3.1471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5000 -2.9151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.5000 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 3.1471 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0000 -0.3170 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0000 1.4151 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.0000 -3.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 0.5490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5000 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 2.2811 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0000 -3.7811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.5000 2.2811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0000 1.4151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5000 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 3.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8192 0.8415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0000 3.1471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2247 -3.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.2811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 -4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5000 4.0131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8660 4.6471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 -0.6461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 -0.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 1.0860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5826 -2.2611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8923 -2.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3100 1.9520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5000 -0.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 -1.5121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -0.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6200 -0.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 0.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8545 -2.3177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8545 -3.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7313 -3.1946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6900 0.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 -2.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 -3.4520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9749 2.6796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9749 1.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3800 3.1471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3100 -0.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1077 -4.3917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4174 -3.9931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0250 0.1505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1900 1.7442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6200 -3.7811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1900 2.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9631 1.9711 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1900 2.8180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0369 2.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.5630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8800 -1.1830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -1.8030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1760 3.1102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4030 3.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5560 4.1841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 0.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0000 -0.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6200 -0.3170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1748 1.3494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3270 0.4859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4635 0.3336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 2.7486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4749 3.5456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3852 -2.6749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8236 -3.4343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0643 -3.8727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 1.6611 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8800 2.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.9011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8100 -5.1841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9631 -4.9571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0369 -4.3371 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 -1.1830 0.0000 H 0 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0 0 366380 1 0 0 0 0 366752 1 0 0 0 0 367381 1 6 0 0 0 367756 1 0 0 0 0 368378 1 1 0 0 0 368757 1 0 0 0 0 369375 1 0 0 0 0 369758 1 0 0 0 0 369759 1 0 0 0 0 372384 1 0 0 0 0 372760 1 0 0 0 0 372761 1 0 0 0 0 373385 1 0 0 0 0 373762 1 0 0 0 0 374386 2 0 0 0 0 374763 1 0 0 0 0 375389 1 0 0 0 0 375390 1 0 0 0 0 375764 1 0 0 0 0 377392 1 0 0 0 0 377765 1 0 0 0 0 377766 1 0 0 0 0 378394 1 0 0 0 0 378768 1 0 0 0 0 378769 1 0 0 0 0 379387 1 6 0 0 0 379393 1 0 0 0 0 379771 1 0 0 0 0 381772 1 0 0 0 0 381773 1 0 0 0 0 381774 1 0 0 0 0 384399 1 0 0 0 0 384779 1 0 0 0 0 384780 1 0 0 0 0 385391 2 0 0 0 0 385782 1 0 0 0 0 386391 1 0 0 0 0 386783 1 0 0 0 0 388398 1 6 0 0 0 388401 1 0 0 0 0 388785 1 0 0 0 0 389787 1 0 0 0 0 389788 1 0 0 0 0 389789 1 0 0 0 0 390790 1 0 0 0 0 390791 1 0 0 0 0 390792 1 0 0 0 0 392404 2 0 0 0 0 392405 1 0 0 0 0 393403 1 0 0 0 0 393793 1 0 0 0 0 394406 2 0 0 0 0 394407 1 0 0 0 0 395402 1 0 0 0 0 396400 1 0 0 0 0 397408 1 1 0 0 0 397409 1 0 0 0 0 397796 1 0 0 0 0 398412 1 0 0 0 0 398797 1 0 0 0 0 398798 1 0 0 0 0 400410 1 1 0 0 0 400799 1 0 0 0 0 402804 1 0 0 0 0 402805 1 0 0 0 0 403806 1 0 0 0 0 403807 1 0 0 0 0 403808 1 0 0 0 0 404413 1 0 0 0 0 404809 1 0 0 0 0 405414 2 0 0 0 0 405810 1 0 0 0 0 406415 1 0 0 0 0 406812 1 0 0 0 0 407416 2 0 0 0 0 407813 1 0 0 0 0 408417 1 0 0 0 0 408814 1 0 0 0 0 408815 1 0 0 0 0 410819 1 0 0 0 0 410820 1 0 0 0 0 411422 1 1 0 0 0 411423 1 0 0 0 0 411822 1 0 0 0 0 413418 2 0 0 0 0 413823 1 0 0 0 0 414418 1 0 0 0 0 414824 1 0 0 0 0 415421 2 0 0 0 0 415826 1 0 0 0 0 416421 1 0 0 0 0 416827 1 0 0 0 0 417427 2 0 0 0 0 417428 1 0 0 0 0 418830 1 0 0 0 0 419420 1 0 0 0 0 419424 1 6 0 0 0 419831 1 0 0 0 0 421832 1 0 0 0 0 422431 1 0 0 0 0 422834 1 0 0 0 0 422835 1 0 0 0 0 424430 1 0 0 0 0 424837 1 0 0 0 0 424838 1 0 0 0 0 425432 1 6 0 0 0 425433 1 0 0 0 0 425839 1 0 0 0 0 426429 1 0 0 0 0 427435 1 0 0 0 0 427842 1 0 0 0 0 428436 2 0 0 0 0 428843 1 0 0 0 0 429437 1 1 0 0 0 429845 1 0 0 0 0 430434 1 0 0 0 0 430846 1 0 0 0 0 430847 1 0 0 0 0 431439 2 0 0 0 0 431440 1 0 0 0 0 432441 1 0 0 0 0 432848 1 0 0 0 0 432849 1 0 0 0 0 434442 1 0 0 0 0 434852 1 0 0 0 0 434853 1 0 0 0 0 435438 2 0 0 0 0 435850 1 0 0 0 0 436438 1 0 0 0 0 436851 1 0 0 0 0 437854 1 0 0 0 0 437855 1 0 0 0 0 437856 1 0 0 0 0 439446 1 0 0 0 0 439858 1 0 0 0 0 440447 2 0 0 0 0 440859 1 0 0 0 0 442861 1 0 0 0 0 442862 1 0 0 0 0 443449 1 0 0 0 0 443451 1 1 0 0 0 443863 1 0 0 0 0 444445 1 0 0 0 0 444448 1 6 0 0 0 444864 1 0 0 0 0 446450 2 0 0 0 0 446865 1 0 0 0 0 447450 1 0 0 0 0 447866 1 0 0 0 0 448452 1 0 0 0 0 448867 1 0 0 0 0 448868 1 0 0 0 0 450870 1 0 0 0 0 451871 1 0 0 0 0 451872 1 0 0 0 0 451873 1 0 0 0 0 452453 1 0 0 0 0 452875 1 0 0 0 0 452876 1 0 0 0 0 453454 1 0 0 0 0 453881 1 0 0 0 0 453882 1 0 0 0 0 454883 1 0 0 0 0 454884 1 0 0 0 0 M END > DB06692 > Aprotinin > SMP00288 $$$$ 861 26 27 0 0 0 0 0 0 0999 V2000 6.8671 0.6550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 3.6550 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 2.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5380 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6719 -3.6550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 17 1 0 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 4 18 1 0 0 0 0 4 26 1 0 0 0 0 5 18 2 0 0 0 0 6 7 1 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 9 14 2 0 0 0 0 9 20 1 0 0 0 0 10 13 2 0 0 0 0 10 18 1 0 0 0 0 11 15 1 0 0 0 0 12 16 2 0 0 0 0 12 21 1 0 0 0 0 13 14 1 0 0 0 0 14 22 1 0 0 0 0 15 17 2 0 0 0 0 15 23 1 0 0 0 0 16 17 1 0 0 0 0 16 24 1 0 0 0 0 M END > DB00861 > Diflunisal > SMP00289 $$$$ 401 52 53 0 1 0 0 0 0 0999 V2000 4.5981 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.8100 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.7942 1.3100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.1900 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.8100 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1962 -0.1900 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3301 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 -1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 -2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6182 -2.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2382 -1.6531 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.2849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9703 -0.7269 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 0.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 0.3469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 22 1 0 0 0 0 2 19 1 0 0 0 0 2 28 1 0 0 0 0 3 15 2 0 0 0 0 4 19 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 30 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 10 13 2 0 0 0 0 10 15 1 0 0 0 0 11 14 2 0 0 0 0 11 19 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 18 1 0 0 0 0 14 20 1 0 0 0 0 16 23 2 0 0 0 0 17 24 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 21 27 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 M CHG 2 5 -1 8 1 M END > DB00401 > Nisoldipine > SMP00381 $$$$ 252 31 33 0 0 0 0 0 0 0999 V2000 4.2451 2.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5529 0.9521 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9379 0.1990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9943 1.8161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9982 0.5410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 -0.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9988 0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0331 1.5404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5535 0.9870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5222 -0.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4689 -0.2720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7901 -0.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5293 1.4589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5222 -1.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4695 -0.2372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7901 -1.8987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5299 1.4938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 -2.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1088 -0.3970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2064 2.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 -0.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7599 -0.8195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2532 -0.5887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8579 1.9847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0591 -2.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1409 -0.7629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2532 -2.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2388 2.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6562 -3.0187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3804 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 20 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 10 2 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 7 13 1 0 0 0 0 10 14 1 0 0 0 0 10 22 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 12 16 2 0 0 0 0 12 24 1 0 0 0 0 13 17 2 0 0 0 0 13 25 1 0 0 0 0 14 18 2 0 0 0 0 14 26 1 0 0 0 0 15 19 2 0 0 0 0 15 27 1 0 0 0 0 16 18 1 0 0 0 0 16 28 1 0 0 0 0 17 19 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 31 1 0 0 0 0 M END > DB00252 > Phenytoin > SMP00326; SMP00327 $$$$ 584 55 56 0 1 0 0 0 0 0999 V2000 6.3301 1.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9673 3.9285 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4321 2.2812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2731 3.5684 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9641 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6551 3.5684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4806 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2242 3.2593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.0194 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7321 -1.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.5194 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3701 2.9560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8993 5.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5706 4.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3577 4.6483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0289 5.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0887 3.8205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3451 3.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.9118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0421 2.5175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.2906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4221 1.4436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.6271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5570 3.7369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.7094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7879 1.3980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 2.0882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.3294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6200 2.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 2.9806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.6006 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 14 1 0 0 0 0 2 45 1 0 0 0 0 3 14 2 0 0 0 0 4 19 1 0 0 0 0 4 23 1 0 0 0 0 5 19 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 13 7 1 1 0 0 0 15 7 1 6 0 0 0 7 37 1 0 0 0 0 8 9 1 0 0 0 0 8 14 1 1 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 35 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 18 44 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 46 1 0 0 0 0 22 25 2 0 0 0 0 22 47 1 0 0 0 0 23 27 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 26 2 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 M END > DB00584 > Enalapril > SMP00148 $$$$ 448 39 41 0 1 0 0 0 0 0999 V2000 6.2619 1.4680 0.0000 S 0 0 3 0 0 0 0 0 0 0 0 0 10.3959 -2.4961 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 -1.4961 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7619 -2.8621 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.1300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 2.2728 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.6633 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.4680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.2640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.6020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.4680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.1300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.9961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1793 0.3900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8695 -0.0086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 2.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -1.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -1.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 -0.8200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 0.6020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 2.0050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.2780 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.6580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3445 -0.9180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6542 -0.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 13 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 16 1 0 0 0 0 5 24 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 28 1 0 0 0 0 8 13 2 0 0 0 0 8 15 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 12 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 14 15 1 0 0 0 0 14 18 2 0 0 0 0 15 20 2 0 0 0 0 16 19 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 33 1 0 0 0 0 20 23 1 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 M END > DB00448 > Lansoprazole > SMP00227 $$$$ 482 40 42 0 0 0 0 0 0 0999 V2000 3.8968 -2.9234 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8366 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 4.0122 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.2212 4.2334 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8968 -2.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8968 -2.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 1.0766 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0878 1.6643 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -3.9234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7058 1.6643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 0.0766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6569 1.3553 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3968 2.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3968 2.6154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7628 -0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 -0.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -1.9234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8648 0.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4000 2.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7628 -1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0308 -1.4234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5590 0.7373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8158 0.0682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3511 1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 3.4244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5100 0.4283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7612 3.1170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 -0.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 -0.1134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4040 -0.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2711 2.6309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2998 -1.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 -1.7334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9447 -0.5383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8118 2.1303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7016 1.0179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0997 0.2367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3185 -0.1614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4337 -4.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3599 -4.2334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 8 14 2 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 13 2 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 25 1 0 0 0 0 15 20 1 0 0 0 0 15 28 1 0 0 0 0 16 21 2 0 0 0 0 16 29 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 23 1 0 0 0 0 18 30 1 0 0 0 0 19 24 2 0 0 0 0 19 31 1 0 0 0 0 20 32 1 0 0 0 0 21 33 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 26 1 0 0 0 0 23 34 1 0 0 0 0 24 35 1 0 0 0 0 26 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 M END > DB00482 > Celecoxib > SMP00096 $$$$ 586 30 31 0 0 0 0 0 0 0999 V2000 5.4641 -1.5600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5600 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.9400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 1.5477 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.8574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 15 1 0 0 0 0 3 16 1 0 0 0 0 3 30 1 0 0 0 0 4 16 2 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 2 0 0 0 0 7 11 2 0 0 0 0 8 16 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 12 13 2 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 M END > DB00586 > Diclofenac > SMP00093 $$$$ 774 28 29 0 0 0 0 0 0 0999 V2000 6.5222 -0.7434 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 -0.9747 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4874 0.9146 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.0195 2.2001 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 2.3234 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.0121 -1.6151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0122 -1.6035 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4874 -0.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0195 -1.6175 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5222 1.3260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4283 -0.2295 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6106 -1.7408 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 -0.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6282 0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 -0.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8962 0.7913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 -0.7087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4283 0.8121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 1.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2534 1.5573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 -1.3287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0391 0.7060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6373 1.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7622 1.9113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5150 1.9459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9640 -0.5416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8227 -2.3234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 12 1 0 0 0 0 2 15 1 0 0 0 0 3 20 1 0 0 0 0 4 20 1 0 0 0 0 5 20 1 0 0 0 0 10 14 1 0 0 0 0 10 18 1 0 0 0 0 10 25 1 0 0 0 0 11 18 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 M END > DB00774 > Hydroflumethiazide > SMP00108 $$$$ 798 76 78 0 1 0 0 0 0 0999 V2000 6.0010 -2.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.9125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2331 1.4535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 -0.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 -0.9125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -2.4125 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7331 2.3195 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2331 3.1856 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 -0.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.8671 -0.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 -2.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 -0.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.5991 -1.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -1.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.2690 -2.4125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2331 1.4535 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.4030 -0.9125 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.7331 2.3195 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7331 2.3195 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2331 3.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2331 3.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7331 2.3195 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.4030 -0.9125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2331 1.4535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -3.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2331 3.1856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -0.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.2225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -2.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7596 -0.3136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8112 -2.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2097 -1.8048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -2.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6131 1.4535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4231 1.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0431 1.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3408 3.7962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6505 3.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 0.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8157 3.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1254 3.7962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -3.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9091 -1.4494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9091 -0.3756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.2075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3531 2.3195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -0.2925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7830 -0.9125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4030 -1.5325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4231 2.8565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4231 1.7826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -3.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2130 0.4905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6962 1.1435 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5431 0.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7700 1.7635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9231 3.7225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1569 -3.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -4.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9169 -3.4125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2331 2.5656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8531 3.1856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2331 3.8056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 14 1 0 0 0 0 2 22 1 0 0 0 0 3 15 1 0 0 0 0 3 57 1 0 0 0 0 4 19 1 0 0 0 0 4 27 1 0 0 0 0 5 22 1 0 0 0 0 5 25 1 0 0 0 0 6 21 1 0 0 0 0 6 65 1 0 0 0 0 7 23 1 0 0 0 0 7 66 1 0 0 0 0 8 16 1 0 0 0 0 8 53 1 0 0 0 0 8 54 1 0 0 0 0 9 17 1 0 0 0 0 9 55 1 0 0 0 0 9 56 1 0 0 0 0 10 20 1 0 0 0 0 10 32 1 0 0 0 0 10 62 1 0 0 0 0 11 24 1 0 0 0 0 11 63 1 0 0 0 0 11 64 1 0 0 0 0 12 29 1 0 0 0 0 12 33 1 0 0 0 0 12 70 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 22 24 1 0 0 0 0 22 44 1 0 0 0 0 23 27 1 0 0 0 0 23 30 1 0 0 0 0 24 26 1 0 0 0 0 24 45 1 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 25 46 1 0 0 0 0 26 28 1 0 0 0 0 26 47 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 27 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 31 1 0 0 0 0 29 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 M END > DB00798 > Gentamicin > SMP00254 $$$$ 1166 54 57 0 0 0 0 0 0 0999 V2000 7.2622 -0.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5062 -0.1829 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1782 -0.9234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.7026 -1.5872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6815 -1.7914 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.1340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7103 0.7961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9646 1.4623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6602 1.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1687 2.4413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8643 2.0877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1186 2.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5942 -0.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -0.0965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8622 -0.5998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.1031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 -0.6065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.6131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 -0.0993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4920 -2.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -1.6548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1727 0.3830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6381 0.9353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3888 1.6924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2799 1.0895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7488 0.4951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5490 2.4605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0801 3.0549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1908 2.6148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4401 1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8254 3.3003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6057 3.1376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3259 0.3769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1229 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2625 -1.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4655 -1.0763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5939 0.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3909 0.3733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5305 -1.0799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7334 -1.0830 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3335 0.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1306 0.3410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -0.0514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -0.7416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 0.5207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4848 -2.7886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 -1.9668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 23 1 0 0 0 0 2 25 2 0 0 0 0 3 4 1 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 4 6 2 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 7 21 1 0 0 0 0 7 25 1 0 0 0 0 7 52 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 19 24 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 26 1 0 0 0 0 22 25 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 51 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 M END > DB01166 > Cilostazol > SMP00263 $$$$ 264 44 44 0 1 0 0 0 0 0999 V2000 3.7321 0.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 4.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 4.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 1.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 0.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5062 4.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8862 3.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 3.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -3.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -3.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -5.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -5.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 11 1 0 0 0 0 2 5 1 0 0 0 0 2 35 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 24 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 20 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 23 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 16 1 0 0 0 0 14 38 1 0 0 0 0 15 17 2 0 0 0 0 15 39 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 19 44 1 0 0 0 0 M END > DB00264 > Metoprolol > SMP00302 $$$$ 903 31 31 0 0 0 0 0 0 0999 V2000 2.0000 1.3100 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.8100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.6900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 4.3926 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 3.7023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1541 4.8469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7741 3.7731 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 -2.2977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -1.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 2 14 1 0 0 0 0 3 13 1 0 0 0 0 3 18 1 0 0 0 0 4 9 2 0 0 0 0 5 19 1 0 0 0 0 5 31 1 0 0 0 0 6 19 2 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 7 12 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 17 2 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 M END > DB00903 > Ethacrynic acid > SMP00097 $$$$ 6 293298 0 1 0 0 0 0 0999 V2000 7.1030 -10.8979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3640 14.0011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7206 17.3417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -11.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6320 18.3539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7584 12.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1245 -7.9124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -12.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3547 12.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5497 -4.6689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -12.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -14.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -16.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6476 -4.0509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1124 -5.6982 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -11.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7302 -2.9706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -13.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -18.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6323 -3.5886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2353 8.7672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0971 -5.2359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4734 -2.3014 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9292 -17.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0632 -16.1986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -21.6986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8316 8.5093 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1186 -2.2503 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4244 -2.6104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4949 0.6841 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7122 4.9057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9201 3.9276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1006 5.6259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9440 -9.6108 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9627 15.0191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7910 17.0667 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5396 15.6191 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4303 -8.2725 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -11.6986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4526 12.9888 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2773 18.4050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9071 19.1687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7087 -5.9561 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -14.1986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8195 10.7235 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0360 -3.3307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -16.1986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5059 20.1868 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0882 20.8913 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -17.1986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3144 -1.0143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9295 9.1273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8007 0.3240 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2964 6.8620 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0791 2.6404 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4064 5.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2596 4.3388 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -10.1986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1219 16.3236 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3260 -9.6108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6350 -8.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6350 -8.6597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2936 14.2760 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6219 15.4576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 14.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4627 15.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4846 15.6772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6000 15.6655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7046 16.6600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5450 15.7236 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.6382 -9.2507 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8951 -9.9198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9573 14.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5893 -9.5597 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1274 16.4281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -11.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1383 16.6372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5831 18.0449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5015 13.2978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3324 -8.8905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3262 18.7140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7261 17.4462 0.0000 C 0 0 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0 150284 1 0 0 0 0 150285 1 0 0 0 0 152153 1 0 0 0 0 152154 1 0 0 0 0 152288 1 0 0 0 0 154155 1 0 0 0 0 154290 1 0 0 0 0 154291 1 0 0 0 0 M END > DB00006 > Bivalirudin > SMP00277 $$$$ 54 57 0 1 0 0 0 0 0999 V2000 2.0000 1.6618 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.9885 1.6618 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -0.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 -0.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2622 -1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7263 -1.3623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.3623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3962 0.1377 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5923 0.1377 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.2622 -0.3623 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7263 -0.3623 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.3962 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1282 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8603 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4583 1.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 1.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3244 0.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2183 1.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2183 -0.3970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 1.1585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1244 0.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3962 -0.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5923 -0.4823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 -0.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1893 -0.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 1.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0067 1.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9817 1.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3803 1.7203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7297 0.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5267 0.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4617 0.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2588 0.6126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1316 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9287 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0598 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8569 2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9942 -0.9823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7252 -1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1893 -1.6723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 2.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2111 2.2923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -1.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2111 -1.0170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -0.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6601 -0.1952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 27 1 0 0 0 0 3 8 1 0 0 0 0 3 20 1 0 0 0 0 4 9 1 0 0 0 0 4 21 1 0 0 0 0 5 10 1 0 0 0 0 5 47 1 0 0 0 0 6 11 1 0 0 0 0 6 48 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 46 1 0 0 0 0 8 10 1 0 0 0 0 8 12 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 31 1 0 0 0 0 10 14 1 0 0 0 0 10 32 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 12 16 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 19 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 20 2 0 0 0 0 18 22 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 22 26 2 0 0 0 0 22 49 1 0 0 0 0 23 27 2 0 0 0 0 23 50 1 0 0 0 0 24 28 2 0 0 0 0 24 51 1 0 0 0 0 25 29 2 0 0 0 0 25 52 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M END > DB04861 > Nebivolol > SMP00366 $$$$ 278 71 73 0 1 0 0 0 0 0999 V2000 8.5991 1.3877 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -1.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -4.1123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -2.6123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5991 1.3877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5991 1.3877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -1.6123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.3877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3591 2.3530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.1123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.1123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.3877 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.6123 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0010 -3.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.6123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1350 -1.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -0.1123 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7331 -1.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -3.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 3.9085 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3591 4.4223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 3.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2651 2.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 2.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.1123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1292 4.4118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 4.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 2.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.8877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.2323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -3.5873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -3.5873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 -2.3023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5244 -1.7200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9230 -1.0297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.6374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.6374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 0.5077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9590 -2.5754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.4223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5790 -3.6493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4685 0.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2656 0.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8027 3.5995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1360 0.0777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7527 4.9013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9545 4.8921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8760 2.9729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4742 2.2832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -0.5873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -0.5873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3519 1.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4413 3.8761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6650 4.7239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8172 4.9476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 5.0077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.5777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7365 0.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5335 0.8626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2700 -4.4223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.7323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9399 1.6977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 28 1 0 0 0 0 2 19 2 0 0 0 0 3 21 1 0 0 0 0 3 67 1 0 0 0 0 4 21 2 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 18 8 1 6 0 0 0 8 51 1 0 0 0 0 9 25 1 0 0 0 0 9 27 1 0 0 0 0 9 58 1 0 0 0 0 10 33 1 0 0 0 0 10 35 2 0 0 0 0 11 35 1 0 0 0 0 11 68 1 0 0 0 0 11 69 1 0 0 0 0 12 35 1 0 0 0 0 12 70 1 0 0 0 0 12 71 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 13 20 1 6 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 21 1 1 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 22 1 0 0 0 0 18 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 22 29 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 23 30 1 1 0 0 0 23 50 1 0 0 0 0 24 26 1 0 0 0 0 24 52 1 0 0 0 0 24 53 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 31 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 32 2 0 0 0 0 29 33 1 0 0 0 0 29 56 1 0 0 0 0 29 57 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 30 61 1 0 0 0 0 31 34 2 0 0 0 0 31 62 1 0 0 0 0 32 34 1 0 0 0 0 32 63 1 0 0 0 0 33 64 1 0 0 0 0 33 65 1 0 0 0 0 34 66 1 0 0 0 0 M END > DB00278 > Argatroban > SMP00276 $$$$ 501 33 33 0 0 0 0 0 0 0999 V2000 3.4901 -1.0999 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -4.3613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2589 1.4317 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -2.8225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4399 3.1542 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8576 2.4497 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6265 4.9813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3090 -2.8225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8968 -2.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0779 -0.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6711 0.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6180 -3.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5691 -4.0826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.7735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8522 2.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4509 3.3633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0332 4.0678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3275 -2.4595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4108 -1.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5085 -0.7369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5919 0.0558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2404 1.0686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1571 0.2759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 -4.9813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8755 1.3669 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7607 -3.4929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1587 -4.2741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3775 -4.6722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -3.9651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 3.0894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0173 3.6155 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1987 3.9297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8845 3.1111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 3 11 1 0 0 0 0 3 15 1 0 0 0 0 3 25 1 0 0 0 0 4 8 1 0 0 0 0 4 14 2 0 0 0 0 5 15 1 0 0 0 0 5 17 1 0 0 0 0 5 30 1 0 0 0 0 6 15 2 0 0 0 0 6 16 1 0 0 0 0 7 17 3 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 29 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 M END > DB00501 > Cimetidine > SMP00232 $$$$ 880 23 24 0 0 0 0 0 0 0999 V2000 3.4030 1.2327 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 -0.8020 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.7673 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3849 -1.6737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3850 -1.6622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9030 -1.6333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9030 0.0987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8950 1.2674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 -0.2881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.2673 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.2673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.2327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.7327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8010 0.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.3873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.8527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8878 1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3368 1.0656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.8873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 8 12 1 0 0 0 0 8 17 1 0 0 0 0 8 20 1 0 0 0 0 9 17 2 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 18 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 17 21 1 0 0 0 0 M END > DB00880 > Chlorothiazide > SMP00078 $$$$ 618 53 56 0 1 0 0 0 0 0999 V2000 10.5194 -2.0023 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 1.5754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 -1.9592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 2.0754 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6839 1.9818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6822 2.1100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 -0.9488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5357 0.6029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5194 2.1530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1854 -1.9592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4075 2.0995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0678 -0.4246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0678 0.5754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9338 -0.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7998 -0.4246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1738 -0.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7998 0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9338 1.0754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 -0.9593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1738 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 -0.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6938 1.1100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 0.5962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3252 -2.4692 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0572 -2.4492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 -1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4037 1.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5310 1.1531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 -0.4671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4748 0.6179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0740 -1.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3323 -1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5353 -1.3996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7937 -1.2246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 -1.2620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2277 -1.2745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7578 2.1123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0090 -1.9359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7919 -2.7854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6414 -3.0025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7534 -2.9897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5976 -2.7530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3609 -1.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1417 -2.2630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2155 2.4261 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 -0.7792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0105 0.9299 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 2.4116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9457 2.4074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9149 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0528 2.4692 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 13 2 1 6 0 0 0 2 39 1 0 0 0 0 19 3 1 1 0 0 0 3 46 1 0 0 0 0 4 18 2 0 0 0 0 5 20 2 0 0 0 0 6 24 1 0 0 0 0 6 47 1 0 0 0 0 7 21 2 0 0 0 0 8 29 1 0 0 0 0 8 52 1 0 0 0 0 9 30 1 0 0 0 0 9 53 1 0 0 0 0 16 10 1 6 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 29 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 6 0 0 0 13 18 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 36 1 6 0 0 0 16 21 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 24 2 0 0 0 0 19 22 1 0 0 0 0 19 38 1 0 0 0 0 20 23 1 0 0 0 0 21 23 1 0 0 0 0 22 25 1 0 0 0 0 22 28 2 0 0 0 0 23 29 2 0 0 0 0 24 25 1 0 0 0 0 25 30 2 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 27 45 1 0 0 0 0 28 31 1 0 0 0 0 30 32 1 0 0 0 0 31 32 2 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 M END > DB00618 > Demeclocycline > SMP00290 $$$$ 335 41 41 0 1 0 0 0 0 0999 V2000 5.4641 -0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.6550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.8450 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1550 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -4.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -2.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 -2.0724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -0.5724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 -5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 -5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -4.1919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -3.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.5350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 3.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 3.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 5.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 7 1 0 0 0 0 2 33 1 0 0 0 0 3 19 2 0 0 0 0 4 6 1 0 0 0 0 4 8 1 0 0 0 0 4 24 1 0 0 0 0 5 19 1 0 0 0 0 5 40 1 0 0 0 0 5 41 1 0 0 0 0 6 7 1 0 0 0 0 6 20 1 0 0 0 0 6 21 1 0 0 0 0 7 9 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 14 34 1 0 0 0 0 15 17 2 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 M END > DB00335 > Atenolol > SMP00298 $$$$