HMDB0300059 RDKit 3D DG(5-iso PGF2VI/i-20:0/0:0) 123123 0 0 0 0 0 0 0 0999 V2000 -15.4281 0.8322 -2.3388 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9910 2.2142 -1.9356 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6678 2.1297 -1.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6378 1.5285 -2.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2895 1.4374 -1.4676 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2889 0.8422 -2.4123 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.1510 1.6333 -3.5591 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.9626 0.8130 -1.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9500 0.1609 -0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6918 0.0744 0.2746 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4079 -1.3091 0.7362 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0471 -2.3407 -0.2084 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8832 -2.4769 -1.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7621 -1.8537 -1.0368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3225 -0.7602 -0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1005 -1.1184 0.6039 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9775 -0.9581 0.1943 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3617 -1.6392 1.8416 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4792 -2.0593 2.8287 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6025 -0.9950 3.3615 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.5314 0.1646 3.7966 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1667 0.6833 2.6747 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6903 -0.4040 2.4651 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6504 -0.2279 2.8865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8816 -0.6292 4.0488 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6129 0.3851 1.9685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9744 0.4112 2.6652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5449 -0.9506 2.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8679 -1.7564 1.7558 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8926 -1.3045 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3116 -1.1431 1.2364 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6865 -0.0752 2.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5941 1.3247 1.6815 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6181 1.9538 0.8691 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2645 1.4206 -0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2626 0.3251 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8336 -0.0688 -1.5259 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8507 -1.1690 -1.2389 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4942 -1.6283 -2.5066 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2168 -0.4940 -3.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2971 0.1079 -2.3474 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9798 1.2205 -3.0919 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0491 1.7853 -2.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7085 0.6459 -4.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6964 -1.6043 1.5393 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.4114 -2.5121 2.5624 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0494 -0.2595 2.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9850 0.7277 1.6586 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8538 0.5246 2.4133 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.5214 0.8602 -2.5405 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2034 0.1536 -1.5035 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8771 0.5307 -3.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7175 2.6696 -1.2183 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8573 2.8534 -2.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3212 3.1111 -0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8011 1.4187 -0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9536 0.5269 -2.4792 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5299 2.2219 -3.0226 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9780 2.4526 -1.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4385 0.7983 -0.5951 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6287 -0.1778 -2.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2130 1.6357 -3.8699 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1127 1.3164 -2.1084 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8371 -0.3144 -0.1757 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8907 0.6426 -0.1708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6483 -1.1953 1.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3454 -3.3976 0.2428 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9337 -2.3244 -0.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9368 -3.3378 -1.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0183 -2.2189 -1.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9950 -0.2168 0.4287 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9128 0.0468 -0.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0519 -2.5092 3.6794 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8987 -2.9185 2.3834 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1239 -1.3006 4.3198 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9216 0.9782 4.2482 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3017 -0.2296 4.4749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7213 1.4720 2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3303 1.4726 1.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6699 -0.0609 0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6880 1.0220 2.1255 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 0.9268 3.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7819 -1.5511 3.5779 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3508 -0.8078 3.6856 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9689 -2.8635 2.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8868 -1.7997 1.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9222 -2.0054 -0.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5067 -0.3489 0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8513 -0.9474 0.2540 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7374 -2.1483 1.5341 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8342 -0.2418 2.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 -0.1175 3.1983 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6223 1.3376 1.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3128 2.0271 2.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1749 2.9862 0.5501 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4771 2.3585 1.5582 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7796 2.2426 -0.9047 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4855 1.0236 -1.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1565 0.7351 0.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9944 -0.5740 0.3693 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3323 0.8143 -1.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0569 -0.5072 -2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5633 -0.7883 -0.4898 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2924 -2.0571 -0.8319 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7560 -2.0596 -3.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2499 -2.4200 -2.2998 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6842 -0.9724 -4.1209 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4982 0.2537 -3.5433 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8314 0.5017 -1.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0717 -0.6334 -2.0807 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2668 2.0091 -3.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6740 2.6359 -1.5585 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9063 2.1360 -2.7984 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4638 0.9728 -1.5511 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0373 0.5302 -5.1580 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5594 1.3299 -4.5033 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0652 -0.3644 -4.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4861 -1.9510 0.8676 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6159 -3.4139 2.2169 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0179 0.1391 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0174 -0.3185 3.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3361 1.7482 1.5601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9437 0.7646 3.3696 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 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 11 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 48 10 1 0 1 50 1 0 1 51 1 0 1 52 1 0 2 53 1 0 2 54 1 0 3 55 1 0 3 56 1 0 4 57 1 0 4 58 1 0 5 59 1 0 5 60 1 0 6 61 1 6 7 62 1 0 8 63 1 0 9 64 1 0 10 65 1 6 11 66 1 1 12 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 15 71 1 0 15 72 1 0 19 73 1 0 19 74 1 0 20 75 1 1 21 76 1 0 21 77 1 0 22 78 1 0 26 79 1 0 26 80 1 0 27 81 1 0 27 82 1 0 28 83 1 0 28 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 41109 1 0 41110 1 0 42111 1 0 43112 1 0 43113 1 0 43114 1 0 44115 1 0 44116 1 0 44117 1 0 45118 1 6 46119 1 0 47120 1 0 47121 1 0 48122 1 6 49123 1 0 M END