HMDB0062353 RDKit 3D 3-hydroxypristanoyl-CoA 141143 0 0 0 0 0 0 0 0999 V2000 16.6240 -1.8360 0.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2035 -0.4113 0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2458 0.3018 -0.5562 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9126 -0.3831 -0.4928 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7903 -1.0711 0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5549 -0.9894 -0.5367 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3314 -1.6175 0.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6606 -3.0712 0.3450 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0293 -0.9525 1.4393 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7636 0.4969 1.3113 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6012 0.9381 0.5016 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2504 0.5645 0.9843 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9054 -0.8689 1.1004 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 1.3776 0.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1938 1.1408 -1.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2548 1.8962 -2.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4577 1.4898 -3.4058 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7845 1.8199 -1.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3834 2.3413 -0.4799 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0565 2.6305 -2.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7344 3.3099 -3.6577 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3407 2.7003 -3.0148 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 1.6535 -2.0335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4120 0.1901 -2.3977 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5008 -0.5794 -1.5653 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7134 -1.8025 -1.2234 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8857 -2.3795 -1.6942 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2036 -2.5972 -0.3824 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3477 -1.7257 0.0799 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9532 -0.6170 0.8723 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3901 0.5632 0.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7594 1.4331 1.8358 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4726 1.1686 0.1219 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0105 2.2582 -0.6407 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5910 1.7108 0.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9842 2.7632 1.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5478 2.4849 0.0897 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2868 0.6300 1.7431 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8340 -0.2721 0.8622 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6598 -1.5255 1.6344 P 0 0 0 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0 5 6 1 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 3 26 27 1 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 2 3 31 32 1 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 35 37 1 0 35 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 40 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 44 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 2 0 56 57 1 0 56 58 1 0 58 59 2 0 59 60 1 0 60 61 2 0 51 62 1 0 62 63 1 0 62 64 1 0 64 65 1 0 65 66 1 0 66 67 2 0 66 68 1 0 66 69 1 0 64 49 1 0 61 52 1 0 61 55 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 0 3 74 1 0 3 75 1 0 3 76 1 0 4 77 1 0 4 78 1 0 5 79 1 0 5 80 1 0 6 81 1 0 6 82 1 0 7 83 1 0 8 84 1 0 8 85 1 0 8 86 1 0 9 87 1 0 9 88 1 0 10 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 13 94 1 0 13 95 1 0 13 96 1 0 14 97 1 0 14 98 1 0 15 99 1 0 15100 1 0 16101 1 0 17102 1 0 18103 1 0 19104 1 0 19105 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