HMDB0299022 RDKit 3D DG(5-iso PGF2VI/i-15:0/0:0) 108108 0 0 0 0 0 0 0 0999 V2000 -11.4236 -2.2639 1.3916 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8892 -3.5111 2.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6675 -3.2209 2.8983 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5374 -2.6501 2.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0305 -3.5091 0.9950 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8941 -2.7002 0.3391 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3178 -3.3421 -0.7210 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5453 -1.4483 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8162 -0.3481 -0.2799 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4596 0.8826 -0.7442 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9738 1.4277 -2.0279 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5146 1.5131 -2.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7291 2.3175 -1.2817 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7311 1.9006 -0.5604 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1984 0.5324 -0.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7629 0.6317 -0.9858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9118 -0.0929 -0.4667 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4084 1.5004 -1.9665 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2048 1.7600 -2.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8195 2.2029 -1.5046 C 0 0 2 0 0 0 0 0 0 0 0 0 0.3224 3.3520 -0.6802 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3676 3.6990 0.1968 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9654 2.5451 -2.2272 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1237 1.8024 -2.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2619 0.8100 -1.4150 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2821 2.2751 -2.9610 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0151 3.3093 -2.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6458 2.9511 -0.9036 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8099 2.0598 -0.8339 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7546 0.6628 -1.3375 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1230 -0.0111 -1.1477 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5790 -0.1009 0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7457 -0.9281 1.1782 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2985 -0.9014 2.5662 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7089 -1.3586 2.7052 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0041 -2.7442 2.2560 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5064 -2.9698 2.4925 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3228 -1.9811 1.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8438 -4.3686 2.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6709 2.7757 -2.0663 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.9832 2.5427 -2.4975 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7177 3.2258 -0.6491 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3414 2.0499 0.2201 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.2554 1.8978 1.2787 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7839 -1.3783 1.5215 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5450 -2.5206 0.3031 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4313 -1.9797 1.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7967 -4.3749 1.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6934 -3.8144 2.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3729 -4.0981 3.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9729 -2.4446 3.6623 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6683 -2.5001 2.8022 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7491 -1.6378 1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7806 -3.6663 0.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6388 -4.4779 1.3226 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1506 -2.4964 1.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9236 -3.4002 -1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6297 -1.4428 -0.3684 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7806 -0.4153 -0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5973 0.6932 -0.8201 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4477 0.8079 -2.8513 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0585 0.4839 -2.2638 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3496 1.8909 -3.2626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9387 3.4188 -1.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1858 2.6180 0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6924 -0.1822 -1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1325 0.1585 0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2087 0.8935 -3.1373 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3518 2.5786 -3.3045 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9775 1.2874 -0.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0529 4.2104 -1.2965 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5430 3.0377 -0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1619 3.4774 1.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8159 2.7605 -3.8903 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8067 1.4067 -3.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7386 3.8762 -2.8643 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2260 4.1023 -1.9253 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9572 3.9051 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8470 2.4773 -0.2221 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7532 2.5860 -1.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0996 2.0423 0.2869 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9285 0.1099 -0.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6574 0.6661 -2.4640 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8427 0.6697 -1.6885 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1807 -0.9724 -1.6912 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6191 -0.5526 0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6993 0.9117 0.6995 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6671 -0.6755 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7938 -2.0018 0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1693 0.1123 2.9731 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6750 -1.5694 3.2321 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3595 -0.6475 2.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0872 -1.2504 3.7513 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5114 -3.5525 2.8158 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8765 -2.8991 1.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7744 -2.8145 3.5703 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2265 -2.4913 1.3033 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7625 -1.4892 0.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6970 -1.1510 2.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9176 -4.6002 2.2773 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1530 -5.0720 2.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6758 -4.4450 0.9707 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2266 3.4939 -2.7651 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0719 2.4792 -3.4740 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7664 3.5180 -0.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1061 4.1244 -0.4210 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3208 2.1853 0.5847 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7288 2.0004 2.1114 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 12 13 1 0 13 14 2 0 14 15 1 0 15 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 20 23 1 0 23 24 1 0 24 25 2 0 24 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 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 1 0 11 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 43 10 1 0 1 45 1 0 1 46 1 0 1 47 1 0 2 48 1 0 2 49 1 0 3 50 1 0 3 51 1 0 4 52 1 0 4 53 1 0 5 54 1 0 5 55 1 0 6 56 1 1 7 57 1 0 8 58 1 0 9 59 1 0 10 60 1 6 11 61 1 6 12 62 1 0 12 63 1 0 13 64 1 0 14 65 1 0 15 66 1 0 15 67 1 0 19 68 1 0 19 69 1 0 20 70 1 1 21 71 1 0 21 72 1 0 22 73 1 0 26 74 1 0 26 75 1 0 27 76 1 0 27 77 1 0 28 78 1 0 28 79 1 0 29 80 1 0 29 81 1 0 30 82 1 0 30 83 1 0 31 84 1 0 31 85 1 0 32 86 1 0 32 87 1 0 33 88 1 0 33 89 1 0 34 90 1 0 34 91 1 0 35 92 1 0 35 93 1 0 36 94 1 0 36 95 1 0 37 96 1 0 38 97 1 0 38 98 1 0 38 99 1 0 39100 1 0 39101 1 0 39102 1 0 40103 1 6 41104 1 0 42105 1 0 42106 1 0 43107 1 1 44108 1 0 M END