HMDB0014391 RDKit 3D Ziprasidone 49 53 0 0 0 0 0 0 0 0999 V2000 8.5536 2.4564 -0.9347 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5043 1.7937 -0.6939 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3460 2.2507 0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4048 1.1264 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1445 1.0162 0.6343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4229 -0.1301 0.4904 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0379 -0.3255 1.0562 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0539 -0.1374 -0.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2995 -0.2835 0.2834 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8547 -1.5237 0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8167 -2.0662 -0.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7857 -0.9998 -0.7191 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2137 -1.2625 -0.6299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6353 -2.4104 -1.1786 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2984 -2.3803 -0.9625 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4464 -0.8852 -0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5375 -0.1745 0.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3308 1.0523 0.9850 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0264 1.4846 1.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9711 0.7828 0.5495 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1522 -0.4525 -0.0909 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2318 0.2646 -1.1148 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1901 0.7445 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 -1.1775 -0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0387 -2.6713 -0.4159 Cl 0 0 0 0 0 0 0 0 0 0 0 0 5.2210 -1.0796 -0.8063 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9376 0.0808 -0.6549 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2381 0.4733 -1.1322 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9225 3.1509 -0.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5807 2.4942 1.1414 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7293 1.8381 1.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9150 0.5441 1.7634 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0355 -1.2825 1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1927 0.9287 -0.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3691 -0.7294 -0.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0885 -2.2943 0.7422 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4322 -1.4556 1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2329 -2.1809 -1.4017 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2670 -2.9845 -0.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4990 -0.6283 0.2304 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1798 1.5637 1.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8285 2.4437 1.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9776 1.2268 0.6795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9277 1.0497 -1.3737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6681 0.0409 -2.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6095 1.2102 0.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5943 1.5318 -0.6435 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6482 -1.8935 -1.3709 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8389 -0.1398 -1.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 12 22 1 0 22 23 1 0 6 24 2 0 24 25 1 0 24 26 1 0 26 27 2 0 27 28 1 0 28 2 1 0 27 4 1 0 23 9 1 0 21 13 1 0 21 16 1 0 3 29 1 0 3 30 1 0 5 31 1 0 7 32 1 0 7 33 1 0 8 34 1 0 8 35 1 0 10 36 1 0 10 37 1 0 11 38 1 0 11 39 1 0 17 40 1 0 18 41 1 0 19 42 1 0 20 43 1 0 22 44 1 0 22 45 1 0 23 46 1 0 23 47 1 0 26 48 1 0 28 49 1 0 M END