HMDB0297331 RDKit 3D DG(a-13:0/PGF2alpha/0:0) 108108 0 0 0 0 0 0 0 0999 V2000 -10.8214 2.5169 -1.5405 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5135 1.3462 -0.8519 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4994 0.6098 0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1781 -0.5307 0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3590 -1.3809 1.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7162 -0.7344 2.7614 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.7030 -0.1554 3.5662 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.6156 0.1942 2.4960 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7151 0.0979 1.5244 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6100 1.0351 1.2681 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4935 2.1350 2.3027 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3628 3.1908 2.0849 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0291 2.5618 2.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2420 1.4085 1.7161 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4785 1.8460 0.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2434 0.3620 1.3189 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.9395 -0.0137 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6576 -0.7049 -0.3135 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6353 -1.9062 -0.8493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3090 -2.5953 -1.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1435 -2.8112 -2.4905 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8938 -3.4785 -2.9029 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3531 -2.7833 -2.5459 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3283 -1.7913 -1.7971 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5797 -3.1952 -3.0221 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8105 -2.5965 -2.7245 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8349 -3.4761 -2.1228 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2068 -4.5542 -2.8955 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3115 -1.7581 -3.9000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5527 -1.1900 -3.6907 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 -0.3688 -2.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1122 -0.1092 -1.7634 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3262 0.1315 -2.6323 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8037 0.7972 -1.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0410 1.9999 -0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5595 2.6597 0.2574 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6015 1.9910 1.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3486 0.8200 1.9456 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8308 0.7821 1.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5090 0.9752 0.6745 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0218 0.9590 0.7093 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5538 2.0449 1.6352 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6866 -0.3472 0.8155 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4381 -1.1961 2.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5144 3.1341 -2.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0638 2.0562 -2.2200 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2329 3.1029 -0.7883 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8050 0.6364 -1.6554 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3442 1.7363 -0.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6492 0.2542 -0.5756 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1254 1.3870 0.7210 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1417 -0.2118 1.1910 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5473 -1.2074 -0.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5839 -1.9011 0.9766 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0125 -2.2096 1.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2962 -1.5575 3.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3935 0.2953 3.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5191 1.0742 3.1644 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8600 -0.7884 0.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7642 1.5231 0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6487 1.6839 3.3026 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7609 3.0638 1.1706 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0158 3.4128 1.5161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6808 2.8575 3.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4893 1.0255 2.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5965 2.1304 0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2269 -0.5365 1.9425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9391 0.8924 -0.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7542 -0.6494 -0.5453 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7394 -0.2395 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5212 -2.4171 -1.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5442 -1.9332 -0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3443 -3.5731 -0.4741 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3160 -1.8288 -2.9969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0272 -3.4269 -2.8174 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9208 -4.5245 -2.4925 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8874 -3.5793 -4.0248 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5476 -1.7888 -1.9561 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7174 -2.8492 -1.8042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4385 -3.8858 -1.1668 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4452 -4.1881 -3.7935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5711 -0.9917 -4.1784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3860 -2.4357 -4.7860 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4192 0.8843 -3.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9900 -0.7437 -2.8130 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9666 0.0680 -0.5740 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8530 1.1741 -1.6575 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0723 2.7686 -1.8084 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9669 1.7191 -0.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4713 3.2388 -0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8066 3.5610 0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4822 1.7297 1.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7125 2.8110 2.3885 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0604 0.7021 3.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9098 -0.1773 1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2533 1.4397 2.7846 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1494 -0.2542 2.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2162 1.8829 0.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2328 0.1209 -0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3353 1.3596 -0.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5201 2.4295 1.2375 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8216 2.8689 1.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7293 1.6386 2.6551 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7910 -0.1793 0.7257 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4040 -0.9390 -0.1008 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6421 -1.9558 1.8971 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3761 -0.6462 2.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3757 -1.8314 2.1348 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 1 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 41 43 1 0 43 44 1 0 16 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 1 12 62 1 0 13 63 1 0 13 64 1 0 14 65 1 1 15 66 1 0 16 67 1 1 17 68 1 0 17 69 1 0 18 70 1 0 19 71 1 0 20 72 1 0 20 73 1 0 21 74 1 0 21 75 1 0 22 76 1 0 22 77 1 0 26 78 1 1 27 79 1 0 27 80 1 0 28 81 1 0 29 82 1 0 29 83 1 0 33 84 1 0 33 85 1 0 34 86 1 0 34 87 1 0 35 88 1 0 35 89 1 0 36 90 1 0 36 91 1 0 37 92 1 0 37 93 1 0 38 94 1 0 38 95 1 0 39 96 1 0 39 97 1 0 40 98 1 0 40 99 1 0 41100 1 0 42101 1 0 42102 1 0 42103 1 0 43104 1 0 43105 1 0 44106 1 0 44107 1 0 44108 1 0 M END