HMDB0014392 RDKit 3D Methysergide 53 56 0 0 0 0 0 0 0 0999 V2000 6.6423 0.8936 1.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3122 0.2246 1.2680 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7095 -0.0274 -0.0980 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5844 -0.9203 -0.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8105 -0.3221 -1.1523 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4070 -0.6276 0.1376 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2484 0.0282 -0.3419 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3412 1.1158 -0.9638 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9381 -0.6195 -0.0795 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1881 0.1668 -0.6307 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3368 0.1947 -0.0546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4003 1.0008 -0.6701 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1355 2.0269 -1.5339 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2319 2.7291 -2.0648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5408 2.3805 -1.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7852 1.3330 -0.8328 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6851 0.6904 -0.3516 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0425 -0.3135 0.5000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4165 -0.2850 0.5423 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8483 0.7255 -0.2769 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2131 1.1083 -0.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0395 -1.1505 1.1490 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6725 -0.5426 1.2012 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6175 -1.4050 1.5773 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6761 -2.7328 1.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6936 -0.8164 1.3952 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6621 1.5487 0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4275 0.1152 1.0337 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8480 1.5315 2.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6743 0.9100 1.8588 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3859 -0.7132 1.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5660 0.9169 -0.6562 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7344 -1.9171 -0.4565 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1129 -1.0899 -1.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5668 -0.9490 -1.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3823 -1.5270 0.6565 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0099 -1.6299 -0.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0644 0.6955 -1.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1353 2.2604 -1.7702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0373 3.5273 -2.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3993 2.9055 -2.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1028 -0.9119 1.0964 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2989 1.5902 -1.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6183 1.7807 0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8358 0.1914 -0.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4021 -1.3882 2.1715 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0289 -2.1461 0.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7294 0.2694 1.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2431 -3.4418 1.7053 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3788 -3.1286 1.0536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0056 -2.7855 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4311 -1.5808 1.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7350 0.1110 1.9649 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 3 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 1 0 18 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 1 0 26 9 1 0 23 11 1 0 17 12 1 0 20 16 1 0 1 27 1 0 1 28 1 0 1 29 1 0 2 30 1 0 2 31 1 0 3 32 1 0 4 33 1 0 4 34 1 0 5 35 1 0 6 36 1 0 9 37 1 6 10 38 1 0 13 39 1 0 14 40 1 0 15 41 1 0 19 42 1 0 21 43 1 0 21 44 1 0 21 45 1 0 22 46 1 0 22 47 1 0 23 48 1 1 25 49 1 0 25 50 1 0 25 51 1 0 26 52 1 0 26 53 1 0 M END