HMDB0014460 RDKit 3D Zolmitriptan 42 44 0 0 0 0 0 0 0 0999 V2000 -2.7860 0.7987 -0.5877 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9149 -0.6282 -0.6750 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0295 -0.9375 -1.5492 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0035 -1.3369 0.5436 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8119 -1.5049 1.3897 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1429 -0.2654 1.7953 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3630 0.4976 2.9399 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5392 1.5432 2.8407 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1869 1.4954 1.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1649 2.2979 1.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7695 1.9825 -0.0566 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4206 0.8480 -0.7513 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0118 0.4459 -2.0393 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2339 -0.4165 -1.9295 C 0 0 1 0 0 0 0 0 0 0 0 0 4.3508 0.2571 -1.1998 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0570 -0.0287 0.1741 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5129 -1.3097 0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5107 -2.0449 1.2052 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0034 -1.6047 -1.1291 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4314 0.0389 -0.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1656 0.3608 1.0217 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7037 1.3055 -1.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7960 1.2049 0.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9569 1.1511 -1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3241 -0.0256 -2.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7060 -1.6891 -2.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9315 -1.2773 -0.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8992 -0.9601 1.1616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3362 -2.3965 0.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0624 -2.1327 2.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0821 -2.1477 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0836 0.2307 3.7204 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4528 2.3147 3.5386 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4503 3.1815 1.6737 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5353 2.6247 -0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2516 -0.1648 -2.6096 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2631 1.3081 -2.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6006 -0.7656 -2.9137 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3265 1.3413 -1.3780 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3162 -0.2041 -1.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5672 -2.5101 -1.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1266 -0.8772 -0.7083 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 2 0 17 19 1 0 12 20 1 0 20 21 2 0 21 6 1 0 21 9 1 0 19 14 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 3 26 1 0 3 27 1 0 4 28 1 0 4 29 1 0 5 30 1 0 5 31 1 0 7 32 1 0 8 33 1 0 10 34 1 0 11 35 1 0 13 36 1 0 13 37 1 0 14 38 1 6 15 39 1 0 15 40 1 0 19 41 1 0 20 42 1 0 M END