HMDB0060702 RDKit 3D (S)-MHD 33 35 0 0 0 0 0 0 0 0999 V2000 -0.6524 3.3660 -0.5463 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3967 2.4286 -0.2355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5757 2.9280 -0.2491 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2040 1.1010 0.0472 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3992 0.3228 0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3349 0.9697 1.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5390 0.3686 1.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -0.8994 0.8260 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8429 -1.5619 0.0663 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6236 -0.9580 -0.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7412 -1.7859 -1.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6490 -1.9648 -0.6571 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3587 -2.6503 -1.6780 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4299 -0.7958 -0.2332 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7845 -1.1327 -0.1177 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7243 -0.2346 0.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3648 1.0478 0.6571 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0184 1.4022 0.5489 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1052 0.4966 0.1141 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3375 3.1283 -1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7597 4.2859 -0.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0469 1.9639 1.3864 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2737 0.8631 1.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7447 -1.3775 1.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0523 -2.5398 -0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7316 -1.2469 -2.0894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2005 -2.7963 -1.2190 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6193 -2.6469 0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9634 -3.5745 -1.6570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1245 -2.1275 -0.3720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7886 -0.4975 0.4048 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1003 1.7511 0.9947 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6963 2.3667 0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 2 0 15 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 4 1 0 10 5 1 0 19 14 1 0 1 20 1 0 1 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 9 25 1 0 11 26 1 0 11 27 1 0 12 28 1 1 13 29 1 0 15 30 1 0 16 31 1 0 17 32 1 0 18 33 1 0 M END