HMDB0295876 RDKit 3D DG(PGF2alpha/18:0/0:0) 123123 0 0 0 0 0 0 0 0999 V2000 15.1920 1.6846 -2.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4004 1.4217 -0.7906 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9616 0.0403 -0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0525 -1.0096 -1.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7100 -0.9518 -0.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9495 -1.1683 1.0457 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6702 -1.1561 1.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9369 0.1419 1.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6911 0.1212 2.4891 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7274 -0.9685 2.1556 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5171 -0.8794 3.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7772 0.4128 2.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2393 0.6177 1.5619 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2211 -0.4134 1.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0200 -0.3728 2.0658 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 0.9921 2.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8510 1.4307 0.7351 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7599 0.5442 0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0038 -0.5257 -0.3001 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4769 0.9522 0.4890 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2970 0.2391 0.1186 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4082 -0.2800 1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8147 0.6721 2.2325 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4479 0.9937 -0.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6426 0.5294 -1.4129 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8778 0.4078 -0.8768 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0453 0.7921 0.3163 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0485 -0.1558 -1.6182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7231 -1.5923 -1.9563 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9056 -2.2383 -2.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0674 -2.1648 -1.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2288 -1.5580 -2.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3037 -1.5603 -1.0556 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7830 -0.2386 -0.6561 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7747 0.7302 -0.0866 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0325 1.3066 -1.1397 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7556 1.8604 0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6142 1.9288 -0.9659 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.1324 3.0183 -1.7145 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3897 0.6418 -1.7331 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.5690 -0.0138 -2.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7859 0.4417 -2.2602 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9016 -0.3757 -2.8412 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.5183 -1.7279 -2.6662 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2097 -0.1391 -2.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3534 -0.4476 -0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4447 0.3230 0.1093 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6908 -0.0070 1.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0898 0.3232 2.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1965 1.3713 -2.6320 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3235 2.7887 -2.4542 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0295 1.1976 -2.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4457 1.5608 -0.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1365 2.1848 -0.4192 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2596 -0.1419 0.4344 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9166 -0.0322 -1.2081 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8509 -0.8660 -2.2290 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4642 -2.0352 -1.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2114 0.0021 -0.5858 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0885 -1.7727 -0.8655 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5892 -0.3638 1.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4300 -2.1744 1.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8360 -1.3170 2.8977 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9771 -1.9621 1.4751 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5707 0.9753 2.0563 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6915 0.3733 0.5795 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1807 1.1024 2.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0240 -0.0268 3.5449 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4115 -0.9071 1.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1507 -1.9906 2.3505 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8228 -1.7110 2.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8306 -1.0505 4.1328 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9608 0.4009 3.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3901 1.3086 3.1846 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7895 1.6332 1.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0777 0.5895 0.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9549 -0.2416 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6640 -1.4231 1.2136 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2654 -1.1075 1.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3572 -0.6072 3.0817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0388 1.7683 2.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4989 0.9224 2.7468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5119 2.4801 0.8550 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6561 1.4393 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7250 -0.6812 -0.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2616 -0.9181 1.0444 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2919 -1.0138 1.8418 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6018 0.3272 2.7389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2281 1.1477 -1.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5541 2.0837 -0.5572 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2861 0.4053 -2.5248 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9128 -0.2127 -0.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4568 -2.1943 -1.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8394 -1.6596 -2.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6474 -3.3126 -2.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0425 -1.6776 -3.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0091 -2.6253 -0.7856 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2929 -1.1070 -3.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1746 -2.0966 -1.5503 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0072 -2.2052 -0.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5956 -0.3105 0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1846 0.3730 0.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3133 1.8788 -0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3985 1.4502 1.0865 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2442 2.7865 0.5368 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6655 2.0816 -0.6763 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7746 3.7582 -1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6345 0.8367 -2.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4252 -1.0129 -2.7068 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9910 1.4322 -1.8529 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9373 -0.1134 -3.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0605 -1.8481 -1.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9685 -0.7548 -2.8115 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5295 0.9227 -2.4263 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4143 -0.2245 -0.4290 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2502 -1.5616 -0.5825 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3786 -0.0268 -0.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4781 1.4064 0.0191 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4841 -1.0668 1.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9890 0.6232 2.1695 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.4737 1.2752 1.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0639 0.5261 3.1159 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7882 -0.5146 1.8829 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 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 21 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 40 34 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 0 6 62 1 0 7 63 1 0 7 64 1 0 8 65 1 0 8 66 1 0 9 67 1 0 9 68 1 0 10 69 1 0 10 70 1 0 11 71 1 0 11 72 1 0 12 73 1 0 12 74 1 0 13 75 1 0 13 76 1 0 14 77 1 0 14 78 1 0 15 79 1 0 15 80 1 0 16 81 1 0 16 82 1 0 17 83 1 0 17 84 1 0 21 85 1 6 22 86 1 0 22 87 1 0 23 88 1 0 24 89 1 0 24 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 1 35102 1 1 36103 1 0 37104 1 0 37105 1 0 38106 1 1 39107 1 0 40108 1 6 41109 1 0 42110 1 0 43111 1 6 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 49123 1 0 M END