HMDB0284742 RDKit 3D PE(DiMe(11,3)/PGE1) 137138 0 0 0 0 0 0 0 0999 V2000 1.3699 6.3355 7.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8561 6.0908 8.0116 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2543 4.6938 8.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8220 3.5869 7.3877 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1649 3.5740 5.9539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5318 4.6377 5.1562 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1197 4.5727 5.2005 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9266 4.6144 3.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4278 3.5638 3.0740 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8017 3.5862 1.6677 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2273 3.1685 1.3621 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1676 4.0654 1.7976 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1651 3.0786 -0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7210 2.9678 -0.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1992 3.1391 -1.5601 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0738 2.5977 0.7671 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5885 2.7206 0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9889 1.7153 -0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5415 1.7394 -0.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0836 1.3601 1.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5296 1.3079 1.4068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4185 0.4502 0.6078 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6270 0.8105 -0.7937 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2012 1.9141 -1.1928 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2818 0.0034 -1.7406 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3956 0.5281 -3.0354 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.8845 0.8815 -3.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6307 -0.3395 -3.1995 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9929 -0.2548 -3.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4473 0.9668 -3.3691 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9331 -1.3365 -3.3416 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5613 -2.7436 -3.3093 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9334 -3.3999 -2.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5984 -2.9973 -1.6597 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3084 -3.9688 -0.4881 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0126 -3.8095 0.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8030 -4.0567 -0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5360 -3.9316 0.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 -4.2001 -0.7184 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0735 -4.0900 0.2049 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2142 -4.3610 -0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 -3.5092 -0.7848 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1764 -4.1203 -1.3593 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3759 -3.4118 -1.8336 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4690 -3.1678 -3.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4633 -4.3801 -4.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8782 -5.4556 -1.3965 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7250 -6.5454 -1.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6321 -5.6482 -0.8275 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8793 -6.9274 -0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9503 -0.3651 -4.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6472 -0.7725 -4.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4490 -1.7606 -5.5115 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.0744 -3.1014 -5.2865 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2461 -1.0466 -6.8343 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8246 -1.8461 -5.9211 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1646 -2.6716 -5.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2923 -2.6961 -5.4506 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8198 -1.3507 -5.4206 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8348 5.3759 8.1158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0866 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29 30 2 0 29 31 1 0 31 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 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 43 47 2 0 47 48 1 0 47 49 1 0 49 50 1 0 26 51 1 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 53 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 16 10 1 0 49 41 2 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 1 7 72 1 0 8 73 1 0 9 74 1 0 10 75 1 6 11 76 1 1 12 77 1 0 13 78 1 0 13 79 1 0 16 80 1 1 17 81 1 0 17 82 1 0 18 83 1 0 18 84 1 0 19 85 1 0 19 86 1 0 20 87 1 0 20 88 1 0 21 89 1 0 21 90 1 0 22 91 1 0 22 92 1 0 26 93 1 1 27 94 1 0 27 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 0 35105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 46122 1 0 48123 1 0 48124 1 0 48125 1 0 50126 1 0 50127 1 0 50128 1 0 51129 1 0 51130 1 0 55131 1 0 57132 1 0 57133 1 0 58134 1 0 58135 1 0 59136 1 0 59137 1 0 M END