HMDB0061551 RDKit 3D PE(MonoMe(9,5)/MonoMe(9,5)) 129130 0 0 0 0 0 0 0 0999 V2000 -2.7210 4.6897 -7.2632 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4550 3.9334 -6.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8681 2.8354 -5.9417 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7210 1.9951 -5.4681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2561 2.8934 -4.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4024 2.0574 -4.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4945 2.5067 -3.5301 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2921 1.4160 -3.3087 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5774 1.4196 -2.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6728 0.3387 -3.8999 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1098 -1.0781 -3.9535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7616 -1.7263 -2.6203 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1885 -3.1870 -2.6138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5756 -3.9803 -3.6686 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1607 -4.2188 -3.8785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2498 -4.9236 -3.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2610 -4.5464 -1.7299 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6274 -4.2552 -0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2311 -4.1297 0.6552 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3368 -3.9459 1.7288 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5832 -4.2352 0.5727 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5053 -4.2149 1.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6436 -3.0341 2.4446 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4662 -3.4394 3.7251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3121 -2.4066 4.6016 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1131 -2.5759 6.0441 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.2943 -3.5257 5.8125 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8384 -1.0662 6.3967 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2308 -3.1559 7.3177 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1465 -3.9538 6.9686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4120 -4.4301 8.2291 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9223 -3.3045 8.9986 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1348 -1.8697 1.9407 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6707 -0.5711 2.0636 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6002 -0.4913 2.7315 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2876 0.6144 1.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8037 0.6907 0.1816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9366 0.6713 -0.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0417 -0.3947 -1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8906 -0.8247 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0638 0.3515 -0.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2006 -0.1689 0.5239 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2532 0.8558 0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7665 2.0226 1.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5293 3.2337 1.1577 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1081 4.0181 2.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7627 5.4608 1.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9242 6.3666 2.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1060 6.1059 1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8425 6.2210 -0.2509 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3678 7.6027 -0.6276 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0528 3.3112 3.2702 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4729 2.0318 2.9596 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5866 0.8976 3.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5586 0.7704 -4.4479 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5428 5.2202 -8.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5826 4.0214 -7.4125 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9987 5.4316 -6.4813 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7893 4.6571 -6.3894 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9323 3.5468 -7.7647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3124 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9 69 1 0 9 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 18 85 1 0 18 86 1 0 22 87 1 0 22 88 1 0 23 89 1 1 24 90 1 0 24 91 1 0 28 92 1 0 30 93 1 0 30 94 1 0 31 95 1 0 31 96 1 0 32 97 1 0 32 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 42112 1 0 43113 1 0 43114 1 0 47115 1 0 47116 1 0 48117 1 0 48118 1 0 49119 1 0 49120 1 0 50121 1 0 50122 1 0 51123 1 0 51124 1 0 51125 1 0 52126 1 0 54127 1 0 54128 1 0 54129 1 0 M END