HMDB0260597 RDKit 3D PE(PGD2/14:0) 122122 0 0 0 0 0 0 0 0999 V2000 -12.2189 5.9352 1.8581 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2778 4.4405 1.6128 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8607 4.1544 0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4218 4.6752 0.0330 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9429 4.4233 -1.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9415 3.0260 -1.7582 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0896 1.9938 -1.1534 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1685 1.6804 0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2712 0.4717 0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8550 0.8061 0.2658 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9196 -0.3689 0.6188 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2728 -1.6052 -0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3848 -2.7804 0.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0075 -2.5042 -0.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5526 -1.4534 -0.7373 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0731 -3.5220 -0.0409 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7129 -3.3571 -0.3960 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3491 -4.2683 -1.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0142 -4.1143 -1.9239 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6058 -2.9692 -2.3598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0669 -1.9240 -2.4478 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0282 -2.9976 -2.7104 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6026 -1.6823 -3.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5790 -0.6390 -1.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1700 0.6429 -2.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2302 1.2321 -1.9491 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9821 0.6838 -0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4179 0.4029 -1.2088 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4867 -0.5871 -2.3578 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8362 -0.0454 -3.4492 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9736 -0.5750 -2.6580 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2631 0.8805 -2.5515 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2008 1.4672 -3.0128 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1722 1.5656 -1.7479 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7938 2.4399 -0.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7399 2.2639 0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4120 3.2200 1.5401 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2046 2.7661 2.8286 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8951 3.2019 1.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6990 4.0977 2.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1295 4.1318 1.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9228 2.8882 1.6876 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5450 1.7808 0.7795 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7784 -3.5130 0.7591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8636 -4.7683 1.3555 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1978 -4.9200 2.6564 P 0 0 0 0 0 5 0 0 0 0 0 0 -0.1513 -3.9785 3.7974 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7928 -4.6605 2.1387 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1180 -6.5343 3.1984 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0905 -7.0543 2.7913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2323 -8.4753 3.2290 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5325 -8.9913 2.7744 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.9624 6.1795 2.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5447 6.4562 0.9271 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2196 6.2333 2.1974 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5860 3.9150 2.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2902 4.0338 1.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8061 3.0610 0.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5317 4.6229 -0.5509 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8433 4.2952 0.8646 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5024 5.8185 0.1332 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6692 4.9812 -2.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9767 4.9656 -1.5628 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0274 2.6845 -1.7949 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6783 3.0071 -2.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3214 1.0185 -1.7067 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0069 2.1652 -1.4920 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1665 1.4072 0.6478 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7170 2.4675 0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4178 0.2659 1.6711 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6325 -0.4067 0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6629 1.0810 -0.7858 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5634 1.6932 0.8801 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0315 -0.4757 1.7243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9183 -0.0079 0.3349 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3480 -1.9121 0.0557 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2217 -1.4458 -1.2384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8108 -3.6858 -0.3245 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3926 -2.9961 1.2658 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6072 -2.3284 -0.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9705 -4.0059 -2.4421 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5821 -5.3280 -1.3298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5860 -3.3809 -1.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1210 -3.7096 -3.5782 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6059 -1.8345 -3.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9842 -1.2697 -3.9270 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9537 -1.0076 -1.0422 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4906 -0.3847 -1.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6877 1.1575 -3.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5640 2.1754 -2.3759 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5862 -0.1931 -0.3267 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0342 1.4802 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9646 -0.1088 -0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 -1.5882 -2.0682 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0598 -0.4425 -4.3067 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1683 -0.9593 -3.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4983 -1.1658 -1.8876 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5525 2.1614 -2.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3375 3.3006 -1.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1957 1.4006 0.9548 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9868 4.2395 1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8871 2.1046 3.1040 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1986 2.1412 1.4175 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9757 3.3859 0.0975 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3070 5.1513 1.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5298 3.9192 3.1166 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7072 4.8855 2.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2641 4.5949 0.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9971 3.1815 1.4614 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9096 2.4895 2.7399 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5133 1.3764 0.3185 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9637 2.0935 -0.1135 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1355 0.8703 1.2768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0489 -2.7746 1.5364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2508 -3.3717 0.4307 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8734 -4.6238 1.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2225 -7.0290 1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9441 -6.4752 3.2012 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2197 -8.6195 4.3176 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4781 -9.1368 2.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5590 -8.7406 1.7421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4829 -10.0356 2.8025 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 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 2 0 36 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 17 44 1 0 44 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 46 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 34 28 1 0 1 53 1 0 1 54 1 0 1 55 1 0 2 56 1 0 2 57 1 0 3 58 1 0 3 59 1 0 4 60 1 0 4 61 1 0 5 62 1 0 5 63 1 0 6 64 1 0 6 65 1 0 7 66 1 0 7 67 1 0 8 68 1 0 8 69 1 0 9 70 1 0 9 71 1 0 10 72 1 0 10 73 1 0 11 74 1 0 11 75 1 0 12 76 1 0 12 77 1 0 13 78 1 0 13 79 1 0 17 80 1 6 18 81 1 0 18 82 1 0 22 83 1 0 22 84 1 0 23 85 1 0 23 86 1 0 24 87 1 0 24 88 1 0 25 89 1 0 26 90 1 0 27 91 1 0 27 92 1 0 28 93 1 1 29 94 1 1 30 95 1 0 31 96 1 0 31 97 1 0 34 98 1 6 35 99 1 0 36100 1 0 37101 1 1 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 43113 1 0 44114 1 0 44115 1 0 48116 1 0 50117 1 0 50118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 1 0 M END