HMDB0297125 RDKit 3D DG(8:0/0:0/PGF2alpha) 93 93 0 0 0 0 0 0 0 0999 V2000 12.6112 0.1224 0.9232 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2138 0.6469 0.8737 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5604 0.4127 -0.4983 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1862 0.9831 -0.3978 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3372 0.8657 -1.6143 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1029 -0.5719 -2.0414 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4256 -1.3471 -0.9078 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1063 -0.6784 -0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2785 -0.4685 -1.5037 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7882 -0.2924 0.6728 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7083 0.3354 1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4585 1.7478 0.8253 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6091 2.5118 1.0908 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8497 1.9860 -0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7120 1.1953 -0.7787 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5418 1.3064 -0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5327 2.1485 0.9103 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3151 0.5389 -0.2375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4788 -0.6450 -1.1337 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8460 -1.3771 -1.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3916 -1.8444 -0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5878 -1.4034 0.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1868 -1.8112 1.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5071 -2.4812 1.5093 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0356 -2.9063 2.9142 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7025 -1.8628 3.7902 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5302 -3.0325 2.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8293 -2.5461 1.3393 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.0445 -1.9124 1.2465 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6412 -1.6017 1.0983 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6233 -1.0865 -0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6220 0.2222 -0.5179 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6025 0.7680 -1.8837 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4888 0.0179 -2.7218 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0580 2.1654 -1.9555 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3723 2.6585 -1.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1463 2.6064 -0.4345 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6584 1.3483 0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5359 0.5656 -0.8137 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5416 -0.9884 1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2377 0.4065 0.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0578 0.4987 1.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1912 1.7292 1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6169 0.1325 1.6581 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5883 -0.6698 -0.6677 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1346 0.9850 -1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2905 2.0707 -0.1315 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7067 0.5253 0.5095 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7825 1.4331 -2.4462 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3592 1.3303 -1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0043 -1.0819 -2.3998 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3787 -0.5353 -2.8808 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1748 -2.3716 -1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0400 -1.3048 -0.0146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8202 0.3097 2.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7368 -0.2351 1.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7026 2.1775 1.5896 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9567 2.9363 0.2520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5516 1.9576 -1.3314 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5022 3.0942 -0.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4271 1.2326 -0.7302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0599 0.2069 0.7588 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8149 -0.3019 -2.1261 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2588 -1.3271 -0.7386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5284 -0.6884 -1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6418 -2.2204 -2.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -2.5312 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0649 -0.7069 -0.2504 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5032 -2.5307 2.1927 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3405 -0.9319 2.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4790 -3.3711 0.8713 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5651 -3.8320 3.2416 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4884 -1.2530 3.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8617 -4.0805 2.8925 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0145 -2.3713 3.5038 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7309 -3.3885 0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7078 -2.4418 0.7215 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7418 -0.8187 1.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6110 -1.7139 -1.1621 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6195 0.9267 0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5801 0.6283 -2.3432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4315 0.4672 -3.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3031 2.7978 -1.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7043 2.5461 -2.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3600 3.7942 -1.9875 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0937 2.2879 -2.4983 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5912 3.1329 0.4212 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0792 3.2873 -0.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9170 0.7166 0.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3240 1.6276 1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4874 1.1165 -0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0138 0.4802 -1.7691 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7356 -0.4235 -0.3806 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 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 12 14 1 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 2 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 25 27 1 0 27 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 30 24 1 0 1 40 1 0 1 41 1 0 1 42 1 0 2 43 1 0 2 44 1 0 3 45 1 0 3 46 1 0 4 47 1 0 4 48 1 0 5 49 1 0 5 50 1 0 6 51 1 0 6 52 1 0 7 53 1 0 7 54 1 0 11 55 1 0 11 56 1 0 12 57 1 1 13 58 1 0 14 59 1 0 14 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 20 65 1 0 20 66 1 0 21 67 1 0 22 68 1 0 23 69 1 0 23 70 1 0 24 71 1 6 25 72 1 1 26 73 1 0 27 74 1 0 27 75 1 0 28 76 1 6 29 77 1 0 30 78 1 1 31 79 1 0 32 80 1 0 33 81 1 6 34 82 1 0 35 83 1 0 35 84 1 0 36 85 1 0 36 86 1 0 37 87 1 0 37 88 1 0 38 89 1 0 38 90 1 0 39 91 1 0 39 92 1 0 39 93 1 0 M END