HMDB0283948 RDKit 3D PE(22:2(13Z,16Z)/PGD2) 142142 0 0 0 0 0 0 0 0999 V2000 -5.7701 1.2923 2.3413 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8588 1.9638 3.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4380 0.9323 4.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7098 1.2499 6.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5722 1.6242 6.9271 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8851 2.8274 6.5223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6102 2.9918 6.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6949 1.8524 6.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5568 2.0071 7.2062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3041 1.9626 6.8279 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1354 1.7538 5.4127 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9226 0.4902 5.3603 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4255 -0.0325 4.0964 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3771 0.6874 3.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9599 1.9725 2.6120 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 2.5688 1.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4372 1.7051 0.5763 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5839 2.3352 -0.2121 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9632 1.4464 -1.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1216 2.0006 -2.1436 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5663 1.1753 -3.2818 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6472 0.9730 -4.4009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8245 1.7652 -5.4015 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6399 0.0596 -4.5277 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9017 0.0379 -5.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8305 -0.9928 -5.7727 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5236 -0.5825 -5.1666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5284 -1.4398 -5.6817 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0004 -1.0037 -5.1685 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.7275 -0.3154 -6.3449 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8889 0.1648 -3.9724 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9420 -2.2718 -4.6171 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0578 -2.5390 -5.3716 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7652 -3.7290 -4.7125 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1646 -3.4521 -3.3595 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2232 -2.2618 -5.4345 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2187 -3.4283 -6.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7657 -3.4249 -7.2921 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7459 -4.6354 -5.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 -5.3469 -4.5163 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5670 -4.4680 -3.3174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8327 -5.2231 -2.3061 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 -4.9481 -1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1929 -3.8613 -2.4328 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6345 -2.8283 -1.4027 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4350 -3.5104 -0.3145 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9199 -4.7502 -0.7268 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5391 -3.5991 0.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6815 -2.8740 0.5314 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7216 -2.8811 1.1646 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4712 -2.1201 -0.7218 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2749 -0.6749 -0.4794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7850 0.0442 -0.7897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8459 1.4891 -0.4916 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2222 2.2335 -1.6186 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8057 1.8637 0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7272 3.3905 0.7498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6688 3.8494 1.8379 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5850 5.3656 1.9626 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1932 5.8235 2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9329 0.5414 2.4105 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7274 0.7832 2.1568 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5036 2.0266 1.5797 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7979 2.1629 3.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4585 2.8941 3.6819 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3490 0.4326 4.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6935 0.0610 4.6024 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2077 0.3248 6.5025 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5600 2.0090 6.1515 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9568 0.6977 7.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0346 1.8433 7.9483 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5060 3.7519 6.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2543 3.9685 5.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1548 0.8735 6.5355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3370 1.6960 5.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7347 2.1688 8.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4924 2.0841 7.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5960 1.8200 4.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9318 2.5876 5.3043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3044 -0.3480 5.8441 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8057 0.5318 6.0793 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5567 -0.3690 3.4057 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8998 -1.0708 4.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3076 0.9125 3.8833 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8018 0.0096 2.4311 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5237 2.7213 3.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1438 1.7142 1.8719 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9678 2.6478 2.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8046 3.5950 1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6303 0.6605 0.7976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5710 1.7411 -0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2149 3.2857 -0.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4115 2.4856 0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2498 0.4702 -0.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1157 1.3186 -2.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9852 2.0838 -1.4330 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8423 3.0405 -2.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5499 1.6287 -3.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9298 0.1881 -2.8640 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4572 1.0471 -5.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6474 -0.0980 -6.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5157 -1.0401 -6.9239 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2832 0.4758 -5.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5834 -0.8266 -4.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8306 0.4586 -3.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8500 -2.7324 -6.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7901 -1.7002 -5.3303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 -4.5117 -4.6545 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5561 -4.1397 -5.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3558 -3.0796 -2.8350 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0337 -2.8958 -3.2855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7635 -4.3457 -5.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0425 -5.4110 -6.2953 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5636 -6.1570 -4.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0503 -5.8458 -4.9387 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5851 -4.2548 -2.8556 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1917 -3.4911 -3.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3597 -6.0844 -1.8448 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2012 -5.6118 -1.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1999 -3.3716 -3.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1691 -4.3253 -2.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3378 -2.1471 -1.9455 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2983 -2.8416 -0.0349 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4953 -5.0890 0.0064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2564 -4.6845 1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0302 -3.1888 1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4464 -2.2049 -1.2787 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0850 -0.0989 0.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6238 -0.4160 -1.2612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1535 1.8806 -0.2140 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4227 2.3872 -2.1502 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8374 1.5300 0.3677 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4995 1.4681 1.6038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0339 3.8855 -0.1971 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7028 3.6104 1.0516 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6882 3.5809 1.5247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4766 3.3536 2.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8735 5.7707 0.9645 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2963 5.7636 2.7074 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5548 5.9310 1.4157 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2316 6.8128 2.8401 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6980 5.1206 3.0361 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 2 0 7 8 1 0 8 9 1 0 9 10 2 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 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 29 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 26 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 2 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 51 45 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 0 25101 1 0 26102 1 6 27103 1 0 27104 1 0 31105 1 0 33106 1 0 33107 1 0 34108 1 0 34109 1 0 35110 1 0 35111 1 0 39112 1 0 39113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 42118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 6 46123 1 1 47124 1 0 48125 1 0 48126 1 0 51127 1 6 52128 1 0 53129 1 0 54130 1 1 55131 1 0 56132 1 0 56133 1 0 57134 1 0 57135 1 0 58136 1 0 58137 1 0 59138 1 0 59139 1 0 60140 1 0 60141 1 0 60142 1 0 M END