HMDB0001041 RDKit 3D 2-Methylbutyryl-CoA 98100 0 0 0 0 0 0 0 0999 V2000 13.3897 -1.7774 0.7764 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9081 -0.3911 1.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9808 0.6783 0.5013 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5446 2.0246 0.8192 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6226 0.4494 1.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3605 -0.5227 1.7667 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3207 1.6033 0.6694 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7370 1.0456 1.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3434 -0.1928 0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0998 -0.7832 1.0816 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8781 -0.0640 1.0340 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8840 1.1086 0.6091 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6137 -0.6985 1.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4883 0.2966 1.4208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2609 0.8341 0.1180 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9220 0.0289 -0.9982 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8213 -1.2122 -0.8144 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6789 0.5435 -2.3668 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7644 1.9113 -2.3579 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4010 0.0244 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0 0 0 0 0 0 -13.3082 -0.5074 -0.9861 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0485 -1.0240 -2.0643 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.9392 0.0551 0.0491 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.2372 0.5613 1.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9074 0.4915 1.0919 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.1951 -0.0663 0.0732 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1885 -1.0410 1.3924 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.9413 -1.5772 2.4172 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8966 -0.4235 1.8840 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.1195 0.2121 3.0959 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0903 -0.3417 4.3080 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.8103 0.4893 4.2353 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6350 -1.9486 4.0647 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7302 -0.0969 5.8500 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9739 -2.2519 1.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5565 -1.7438 0.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1850 -2.4355 0.4000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8742 -0.2760 0.4885 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0598 -0.2349 2.1495 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9893 0.5412 -0.6083 H 0 0 0 0 0 0 0 0 0 0 0 0 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18 19 1 0 18 20 1 0 20 21 1 0 20 22 1 0 20 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 25 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 41 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 36 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 51 54 1 0 49 34 1 0 46 37 1 0 46 40 1 0 1 55 1 0 1 56 1 0 1 57 1 0 2 58 1 0 2 59 1 0 3 60 1 6 4 61 1 0 4 62 1 0 4 63 1 0 8 64 1 0 8 65 1 0 9 66 1 0 9 67 1 0 10 68 1 0 13 69 1 0 13 70 1 0 14 71 1 0 14 72 1 0 15 73 1 0 18 74 1 6 19 75 1 0 21 76 1 0 21 77 1 0 21 78 1 0 22 79 1 0 22 80 1 0 22 81 1 0 23 82 1 0 23 83 1 0 27 84 1 0 31 85 1 0 33 86 1 0 33 87 1 0 34 88 1 1 36 89 1 1 38 90 1 0 42 91 1 0 42 92 1 0 44 93 1 0 47 94 1 6 48 95 1 0 49 96 1 1 53 97 1 0 54 98 1 0 M END