HMDB0266408 RDKit 3D PA(PGD2/24:1(15Z)) 142142 0 0 0 0 0 0 0 0999 V2000 -18.8344 2.6807 0.1630 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1297 1.4778 0.7442 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.8084 1.8925 1.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1765 0.6479 1.9504 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8660 0.8847 2.6330 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8102 1.4842 1.7533 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5738 0.5620 0.6018 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4970 1.1190 -0.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2016 1.2780 0.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1368 0.6447 -0.0578 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0504 -0.2787 -1.2053 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6051 -1.6620 -0.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5380 -2.6154 -1.9181 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5949 -2.2238 -3.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1473 -2.1147 -2.5634 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6371 -3.4229 -2.0341 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2151 -3.3735 -1.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0265 -2.3563 -0.5021 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5961 -2.3076 -0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5975 -1.9417 -1.0661 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7989 -0.5718 -1.6742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7099 0.5155 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3959 0.5478 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2269 0.8017 -0.7628 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3876 1.0666 -1.9885 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0542 0.7638 -0.2690 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2236 1.0022 -1.0112 C 0 0 2 0 0 0 0 0 0 0 0 0 3.1504 -0.2064 -1.0701 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5135 -0.5736 0.2647 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3863 -1.6092 0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8476 -2.2068 -0.5037 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8083 -2.0549 1.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8360 -1.1318 2.4515 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0860 -1.0204 1.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0452 -0.1098 2.2225 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2699 -0.3699 2.6070 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8974 -1.6959 2.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1527 -1.5972 1.5734 C 0 0 1 0 0 0 0 0 0 0 0 0 11.7922 -2.9284 1.3989 C 0 0 1 0 0 0 0 0 0 0 0 0 11.1776 -3.9130 2.1848 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6459 -3.3235 -0.0403 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7451 -2.3161 -0.6383 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1161 -2.4414 -1.6797 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7268 -1.1321 0.2264 C 0 0 2 0 0 0 0 0 0 0 0 0 11.6365 -0.1039 -0.3383 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2695 -0.3212 -1.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1995 0.6488 -2.0996 C 0 0 1 0 0 0 0 0 0 0 0 0 12.6952 1.9525 -2.0396 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6020 0.5470 -1.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8633 0.7826 -0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5264 2.1156 0.3578 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3320 3.2052 -0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9499 4.5456 0.2161 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0283 2.1721 -0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3414 3.3678 -0.5200 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3787 4.5954 0.0689 P 0 0 0 0 0 5 0 0 0 0 0 0 4.2906 5.0331 -1.0531 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4977 5.8912 0.6544 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3334 3.8840 1.2895 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.3152 2.3515 -0.7824 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.6271 3.0504 0.8738 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0900 3.4590 -0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7664 1.0245 1.5145 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8892 0.7642 -0.0689 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1962 2.3545 0.6141 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0506 2.6085 2.2062 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.0753 -0.1294 1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8580 0.2023 2.7255 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5128 -0.0738 3.0324 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0356 1.5679 3.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9063 1.6610 2.3588 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1350 2.4778 1.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3943 -0.4733 0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5293 0.5388 0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4669 0.6312 -1.2802 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8508 2.1775 -0.5324 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0728 1.9304 1.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1966 0.8046 0.4897 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1761 0.1010 -1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8863 -0.3020 -1.8887 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6678 -1.6018 -0.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3874 -2.0458 -0.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2335 -3.5999 -1.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5444 -2.6998 -2.3713 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6539 -3.0078 -3.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9229 -1.2794 -3.4647 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1579 -1.3932 -1.7055 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5699 -1.7406 -3.4273 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2425 -3.6723 -1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8297 -4.2222 -2.7822 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5381 -3.0520 -2.4425 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9156 -4.3990 -1.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2824 -1.3605 -0.9211 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6441 -2.6062 0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3443 -3.3581 0.2943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4932 -1.7133 0.9096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6393 -2.6838 -1.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5796 -2.0530 -0.6324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8308 -0.5415 -2.0902 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0976 -0.3925 -2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8010 1.4855 -1.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5708 0.5011 0.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3996 1.3147 0.8968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3218 -0.4283 0.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8940 1.2504 -2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6862 -1.0397 -1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0468 0.1173 -1.6295 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9336 -2.1222 2.5475 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2504 -3.0751 1.7772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3650 -0.1115 2.5069 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1012 -1.5061 3.4563 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4371 -1.9930 1.2735 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7491 -0.5065 0.6347 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6944 0.9258 2.3992 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8580 0.4163 3.0634 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1933 -2.1325 3.4456 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1712 -2.4013 2.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8161 -0.8638 2.0980 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8634 -2.8328 1.7032 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4111 -4.3386 1.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2055 -4.3479 -0.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6582 -3.2925 -0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6898 -0.6733 0.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7578 0.8185 0.1937 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1154 -1.2736 -1.9585 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2107 0.4012 -3.1852 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6947 1.8936 -2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1983 1.2779 -2.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9924 -0.4572 -1.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3035 -0.0126 0.3972 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9298 0.5664 0.0463 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4855 2.4109 0.4059 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9138 2.1572 1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4287 3.0646 -0.1347 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2354 3.1591 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9384 4.4460 0.6973 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6475 4.8259 1.0369 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9563 5.3254 -0.5564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9753 2.2335 -1.0712 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3600 1.9813 0.5620 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5544 5.8683 0.3568 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1195 3.4780 0.8193 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 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 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 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 2 0 42 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 27 54 1 0 54 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 56 59 1 0 44 38 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 0 2 64 1 0 3 65 1 0 3 66 1 0 4 67 1 0 4 68 1 0 5 69 1 0 5 70 1 0 6 71 1 0 6 72 1 0 7 73 1 0 7 74 1 0 8 75 1 0 8 76 1 0 9 77 1 0 10 78 1 0 11 79 1 0 11 80 1 0 12 81 1 0 12 82 1 0 13 83 1 0 13 84 1 0 14 85 1 0 14 86 1 0 15 87 1 0 15 88 1 0 16 89 1 0 16 90 1 0 17 91 1 0 17 92 1 0 18 93 1 0 18 94 1 0 19 95 1 0 19 96 1 0 20 97 1 0 20 98 1 0 21 99 1 0 21100 1 0 22101 1 0 22102 1 0 23103 1 0 23104 1 0 27105 1 6 28106 1 0 28107 1 0 32108 1 0 32109 1 0 33110 1 0 33111 1 0 34112 1 0 34113 1 0 35114 1 0 36115 1 0 37116 1 0 37117 1 0 38118 1 1 39119 1 1 40120 1 0 41121 1 0 41122 1 0 44123 1 1 45124 1 0 46125 1 0 47126 1 6 48127 1 0 49128 1 0 49129 1 0 50130 1 0 50131 1 0 51132 1 0 51133 1 0 52134 1 0 52135 1 0 53136 1 0 53137 1 0 53138 1 0 54139 1 0 54140 1 0 58141 1 0 59142 1 0 M END