HMDB0276537 RDKit 3D PI(PGE1/18:1(11Z)) 147148 0 0 0 0 0 0 0 0999 V2000 17.5336 2.2023 -0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0725 1.8374 -0.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8153 0.5226 -0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3843 0.0911 -0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4450 1.1113 0.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9803 0.6495 0.0604 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6593 0.4971 -1.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6933 1.1443 -1.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7553 2.1131 -1.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3492 1.6356 -1.6191 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0149 0.3233 -1.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1003 0.2817 0.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1950 1.1849 1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7424 1.1167 1.0526 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0170 -0.1175 1.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3220 -1.2761 0.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5068 -2.4787 0.9894 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0492 -2.2262 0.9658 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.7418 1.9998 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2136 -2.4727 -0.1120 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8225 -2.2081 -0.0509 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1043 -3.5385 -0.2011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0053 -4.2412 1.0203 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0447 -5.0983 1.3457 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2647 -5.4780 2.5322 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9675 -5.6231 0.3096 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2983 -4.8714 0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4119 -5.8713 0.2097 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7470 -5.2667 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9224 -3.9337 0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9334 -3.0331 -0.1393 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4944 -1.5665 -0.1650 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2273 -1.0647 1.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1647 -1.4827 1.7060 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1086 -0.1439 1.9761 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5380 1.1383 2.4091 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5325 0.7780 3.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1018 2.2215 1.5405 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9094 2.7210 0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8611 2.2081 -0.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4690 3.0731 -1.3649 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.3013 2.5457 -2.6186 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9972 3.0321 -1.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2079 3.5797 0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5965 3.5459 0.8257 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6529 4.2885 0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9309 3.7917 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5953 2.2334 1.1809 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8725 1.2868 1.8493 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3791 2.2083 -0.3093 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8225 3.4227 -0.7933 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4481 1.1146 -0.7881 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1194 0.2039 0.1487 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6021 -0.3970 0.2477 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.6867 0.7149 0.7648 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6270 -1.6326 1.4387 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9821 -1.0548 -1.1495 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3752 -1.2593 -1.1448 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9595 0.3950 -2.0167 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1465 1.3843 -3.0084 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2393 -0.3262 -1.8626 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.6411 -0.6916 -3.1740 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2291 -1.5581 -1.0370 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.2007 -2.6645 -1.8742 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6786 2.2884 0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1461 1.3492 -0.9422 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7965 3.1242 -1.1174 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4625 2.6242 -0.3639 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9286 1.7539 -1.9142 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9688 0.6240 0.9486 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4873 -0.2743 -0.5558 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1770 -0.0369 -1.4208 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2376 -0.8611 0.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6319 1.1958 1.3307 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5034 2.0748 -0.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9048 -0.3400 0.5745 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3263 1.3469 0.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2426 -0.1943 -1.9905 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5552 0.9466 -3.0425 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8618 3.0577 -1.9966 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9243 2.3492 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1 0 6 77 1 0 7 78 1 0 8 79 1 0 9 80 1 0 9 81 1 0 10 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 12 87 1 0 13 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 15 93 1 0 16 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 21 98 1 1 22 99 1 0 22100 1 0 26101 1 0 26102 1 0 27103 1 0 27104 1 0 28105 1 0 28106 1 0 29107 1 0 29108 1 0 30109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 6 35114 1 0 35115 1 0 36116 1 1 37117 1 0 38118 1 1 39119 1 0 40120 1 0 41121 1 6 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 47133 1 0 48134 1 1 49135 1 0 50136 1 6 51137 1 0 52138 1 6 56139 1 0 58140 1 0 58141 1 0 59142 1 6 60143 1 0 61144 1 1 62145 1 0 63146 1 1 64147 1 0 M END