HMDB0295377 RDKit 3D DG(15:0/0:0/PGE1) 114114 0 0 0 0 0 0 0 0999 V2000 17.5349 -0.8125 -0.5211 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1646 -0.1434 -0.4305 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1612 -1.0808 0.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8156 -0.4201 0.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8792 0.8124 1.0756 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5270 1.5049 1.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9932 1.9148 -0.1502 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6876 2.6234 -0.0238 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6679 1.7531 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3584 0.4791 -0.1407 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8212 0.7827 -1.5232 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4711 -0.4327 -2.3206 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4175 -1.2796 -1.6261 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2192 -0.4147 -1.4293 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1081 -1.1568 -0.7317 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1932 -2.3757 -0.4635 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9507 -0.4912 -0.3642 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8522 -1.0891 0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8606 0.0700 0.5163 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4496 0.6270 -0.6635 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7426 -0.2715 1.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1574 -1.1587 0.9060 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9741 -0.9615 -0.1551 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9809 0.1034 -0.7964 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9301 -2.0409 -0.6123 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -1.7222 0.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3634 -2.6456 -0.2638 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5689 -2.1111 0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7946 -2.9315 0.3042 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0112 -2.5422 1.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6112 -1.2123 0.8271 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7930 -0.0325 1.1218 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1881 0.2487 2.1414 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7745 0.8891 -0.0808 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3083 0.0319 -1.2140 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2507 -0.5333 -1.9368 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1823 -0.9944 -0.5829 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.5958 -0.5781 -0.3860 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1433 0.5453 -0.7611 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6060 0.8353 -0.4909 C 0 0 1 0 0 0 0 0 0 0 0 0 -13.3576 -0.3192 -0.4369 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6943 1.6855 0.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0902 2.0458 1.1376 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8236 2.8238 0.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2124 3.1088 0.6507 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9751 1.8487 0.9605 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2976 -0.0072 -0.4561 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5997 -1.5055 0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6135 -1.3486 -1.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7827 0.1695 -1.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2855 0.7218 0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4261 -1.3600 1.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0429 -2.0128 -0.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1081 -1.1522 0.6989 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5301 -0.2092 -0.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5564 1.5750 0.6216 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1851 0.5279 2.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6081 2.4217 1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7959 0.8308 1.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7293 2.6391 -0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9081 1.0122 -0.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3586 3.0631 -0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8213 3.5133 0.6535 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9272 1.5153 1.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6917 2.3401 0.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2375 -0.1651 -0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5231 -0.0107 0.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6790 1.2786 -2.0657 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0313 1.5314 -1.4724 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3870 -0.9753 -2.5522 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0301 -0.0897 -3.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1416 -2.1002 -2.3247 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8445 -1.7187 -0.7262 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8313 -0.1074 -2.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4785 0.4254 -0.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1950 -1.4292 1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 -1.8555 -0.3699 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4844 0.9000 1.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1131 0.6611 -1.3748 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1611 -0.6961 2.3710 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2114 0.6893 1.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9759 -2.1284 -1.6976 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5478 -3.0224 -0.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4745 -0.6614 -0.1961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0646 -1.7849 1.1560 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6433 -2.6762 -1.3356 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1594 -3.6830 0.0476 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 -1.0661 0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2920 -2.1974 1.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9629 -3.0838 -0.7919 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5271 -3.9787 0.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7895 -2.6978 2.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8123 -3.3010 0.7426 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4951 -1.1752 1.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7508 1.2691 -0.2703 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4195 1.7717 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8436 0.6673 -1.9295 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5854 -0.9011 -2.7819 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1297 -1.9755 -1.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2814 -1.2828 0.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5557 1.2929 -1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9525 1.4272 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5420 -0.6008 -1.3892 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1310 2.6327 0.5058 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1402 1.1664 1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6108 1.1034 1.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0753 2.6594 2.0640 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3231 3.7996 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9874 2.2652 -0.8437 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1233 3.7581 1.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7679 3.6977 -0.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7331 1.0157 0.3018 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0790 2.0192 0.8950 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8002 1.6168 2.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 37 31 1 0 1 47 1 0 1 48 1 0 1 49 1 0 2 50 1 0 2 51 1 0 3 52 1 0 3 53 1 0 4 54 1 0 4 55 1 0 5 56 1 0 5 57 1 0 6 58 1 0 6 59 1 0 7 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 9 65 1 0 10 66 1 0 10 67 1 0 11 68 1 0 11 69 1 0 12 70 1 0 12 71 1 0 13 72 1 0 13 73 1 0 14 74 1 0 14 75 1 0 18 76 1 0 18 77 1 0 19 78 1 1 20 79 1 0 21 80 1 0 21 81 1 0 25 82 1 0 25 83 1 0 26 84 1 0 26 85 1 0 27 86 1 0 27 87 1 0 28 88 1 0 28 89 1 0 29 90 1 0 29 91 1 0 30 92 1 0 30 93 1 0 31 94 1 1 34 95 1 0 34 96 1 0 35 97 1 6 36 98 1 0 37 99 1 6 38100 1 0 39101 1 0 40102 1 6 41103 1 0 42104 1 0 42105 1 0 43106 1 0 43107 1 0 44108 1 0 44109 1 0 45110 1 0 45111 1 0 46112 1 0 46113 1 0 46114 1 0 M END