HMDB0000030 RDKit 3D Biotin 32 33 0 0 0 0 0 0 0 0999 V2000 4.5260 1.0153 -1.5312 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6260 1.0044 -0.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3170 2.2164 -0.0508 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9582 -0.2628 -0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9520 0.0572 0.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2001 -1.1680 1.2955 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4203 -1.8425 0.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6502 -1.1698 -0.4508 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2127 0.3276 -1.3780 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9186 1.0135 -1.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7184 -0.0840 -0.7978 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7041 0.5915 0.0447 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9367 1.1338 1.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3431 2.0119 1.9161 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6384 0.4975 1.1034 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8267 -0.6793 0.3065 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2398 3.0246 -0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7298 -0.9573 0.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5575 -0.7250 -1.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5727 0.3863 1.7110 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3289 0.9037 0.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0083 -1.8536 1.6970 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6313 -0.8898 2.2055 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0272 -2.8070 0.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1572 -2.2137 -0.5280 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0690 -1.8661 -1.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1460 1.0902 -2.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9747 1.9757 -0.9491 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1306 -0.8258 -1.4615 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7274 0.6418 -0.1329 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8246 0.9079 1.6047 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4311 -1.4545 0.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 2 3 1 0 2 4 1 0 4 5 1 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 13 15 1 0 15 16 1 0 16 8 1 0 16 11 1 0 3 17 1 0 4 18 1 0 4 19 1 0 5 20 1 0 5 21 1 0 6 22 1 0 6 23 1 0 7 24 1 0 7 25 1 0 8 26 1 6 10 27 1 0 10 28 1 0 11 29 1 6 12 30 1 0 15 31 1 0 16 32 1 1 M END