HMDB0060967 RDKit 3D S-nirvanol 27 28 0 0 0 0 0 0 0 0999 V2000 -0.2943 1.5605 1.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8780 1.6205 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8388 0.2284 -0.1501 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5626 -0.2157 -0.2094 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0392 -1.0866 0.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3502 -1.5396 0.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2155 -1.1181 -0.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7519 -0.2463 -1.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4259 0.2074 -1.1839 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6531 -0.6010 0.6895 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6393 -1.0425 0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6777 -1.8956 0.4649 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5524 -0.5430 -1.3172 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5161 0.2009 -1.4468 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1731 0.8320 -2.6493 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7547 2.3716 2.4993 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8149 1.6669 1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5226 0.6014 2.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2650 2.2705 -0.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9066 2.0218 0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3960 -1.4414 1.5187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7263 -2.2256 1.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2544 -1.4808 -0.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4368 0.0842 -1.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 0.8927 -1.9588 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4428 -1.4013 0.9392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9707 0.2788 -3.4887 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 3 2 1 1 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 3 10 1 0 10 11 2 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 14 3 1 0 9 4 1 0 1 16 1 0 1 17 1 0 1 18 1 0 2 19 1 0 2 20 1 0 5 21 1 0 6 22 1 0 7 23 1 0 8 24 1 0 9 25 1 0 12 26 1 0 15 27 1 0 M END