HMDB0300226 RDKit 3D DG(i-21:0/PGE2/0:0) 130130 0 0 0 0 0 0 0 0999 V2000 15.1171 3.3962 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3960 2.4838 -1.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4323 1.0236 -0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1868 0.3555 -0.3207 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6027 0.8491 0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3422 0.0634 1.3404 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6021 -1.2828 1.5258 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2317 0.3069 0.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1094 -0.4865 -0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0032 -0.2660 -1.6423 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4727 -0.2243 -3.0733 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7416 1.0906 -3.4175 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2513 -0.6610 -3.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6446 -1.6904 -2.9977 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8425 -2.5149 -3.3994 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1648 -1.5302 -1.6383 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0903 -1.3788 -0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2717 -2.5817 -0.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9849 -2.5898 -0.7610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2008 -1.4056 -1.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4571 -1.4256 -2.3732 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4466 -2.5486 -2.4740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4387 -2.4500 -1.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 -3.3402 -0.5128 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6432 -1.3456 -1.2895 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6792 -1.1194 -0.3233 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2197 0.0160 0.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4544 1.1581 -0.1715 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6812 -0.7302 -0.7625 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4859 -0.4749 0.3629 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8261 -1.3021 1.3755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3834 -2.4980 1.3422 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6833 -0.9121 2.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3270 0.3959 2.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1756 0.9301 3.3476 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7840 2.2241 2.9584 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6184 2.3809 1.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9172 1.8001 1.5126 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2516 0.4010 1.3759 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1369 -0.5933 2.4522 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8869 -0.2704 3.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3520 -0.1141 3.5355 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0001 -1.3958 3.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4835 -1.2730 2.9825 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8770 -0.2549 1.9471 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3765 -0.6688 0.6104 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7650 0.3594 -0.4457 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2195 0.5105 -0.6202 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6103 1.5488 -1.6110 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1459 1.4111 -3.0071 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7654 2.5898 -3.7818 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6756 1.5098 -3.2394 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3171 2.9403 1.0854 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1283 3.8633 0.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8136 4.2906 -0.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5430 2.6322 -1.7721 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3560 2.7756 -1.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7019 0.5386 -1.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2675 0.7592 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4666 0.4094 -1.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3447 -0.7732 -0.2244 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2875 1.9060 0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3057 0.7590 1.7758 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0739 0.4854 2.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8974 -1.7747 0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5206 1.1241 0.5326 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7784 -1.3140 -0.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3793 0.5984 -1.4107 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3199 -0.9053 -3.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4600 1.1289 -4.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5213 0.1538 -3.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5307 -1.0615 -4.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7686 -2.4146 -1.3648 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6633 -1.3749 0.4148 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6045 -0.4131 -0.6027 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8272 -3.5286 -0.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4873 -3.5650 -0.7112 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7194 -0.4319 -1.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3710 -1.2804 -0.2764 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1308 -1.4729 -3.2607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8981 -0.4724 -2.4611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9128 -3.5468 -2.5347 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9048 -2.3907 -3.4304 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6402 -2.0431 0.3251 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 0.1948 1.3439 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1783 -0.3546 1.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0665 1.7879 0.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1769 -1.4828 -1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6861 0.2406 -1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9522 -0.7435 3.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3383 -1.7113 2.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5082 1.1476 2.0679 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9144 0.3681 1.2863 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8304 0.2396 3.8547 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4485 1.2396 4.2189 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8952 2.9432 2.8321 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2804 2.6857 3.8796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9787 2.0921 0.8348 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6908 3.5313 1.5238 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7374 2.3479 2.1549 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2396 2.2790 0.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5731 -0.0093 0.5240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2664 0.2845 0.8476 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1595 -1.0036 2.6854 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6742 -1.5361 2.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4140 0.5419 4.2961 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7487 -1.1826 4.3712 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5418 0.7115 2.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7798 0.1525 4.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7114 -2.1768 3.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5935 -1.6900 2.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8774 -1.0057 3.9925 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8863 -2.2941 2.7162 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4490 0.7491 2.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9840 -0.0915 1.9650 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2917 -0.7891 0.5275 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7950 -1.6790 0.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2846 -0.0616 -1.3796 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3021 1.3038 -0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7138 0.7875 0.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.7244 -0.4420 -0.9492 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7436 1.6162 -1.6628 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2733 2.5789 -1.2620 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5197 0.4532 -3.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5234 3.0898 -3.1571 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9610 3.2995 -4.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2207 2.1761 -4.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1799 0.5533 -3.5264 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1233 1.9905 -2.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5178 2.1698 -4.1642 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 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 19 20 1 0 20 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 26 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 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 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 50 52 1 0 16 10 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 1 7 65 1 0 8 66 1 0 9 67 1 0 10 68 1 1 11 69 1 1 12 70 1 0 13 71 1 0 13 72 1 0 16 73 1 1 17 74 1 0 17 75 1 0 18 76 1 0 19 77 1 0 20 78 1 0 20 79 1 0 21 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 26 84 1 1 27 85 1 0 27 86 1 0 28 87 1 0 29 88 1 0 29 89 1 0 33 90 1 0 33 91 1 0 34 92 1 0 34 93 1 0 35 94 1 0 35 95 1 0 36 96 1 0 36 97 1 0 37 98 1 0 37 99 1 0 38100 1 0 38101 1 0 39102 1 0 39103 1 0 40104 1 0 40105 1 0 41106 1 0 41107 1 0 42108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 51125 1 0 51126 1 0 51127 1 0 52128 1 0 52129 1 0 52130 1 0 M END