HMDB0285097 RDKit 3D PE(PGF2alpha/DiMe(9,5)) 137138 0 0 0 0 0 0 0 0999 V2000 15.7015 -0.9534 3.6908 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2231 -0.6772 2.3121 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5562 -1.5223 1.2591 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0587 -1.2246 1.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4494 -2.0855 0.2139 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9669 -1.9059 0.0962 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3374 -1.2439 -0.8295 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0217 -1.2680 -0.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0520 -0.5826 -1.5730 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6685 0.7603 -1.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9282 0.8931 0.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5577 0.2795 0.1700 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6783 0.9246 -0.8918 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4823 2.3981 -0.6923 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8342 2.7483 0.5988 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4568 2.1876 0.8077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5338 2.7077 -0.1911 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8762 3.5535 -1.0339 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2003 2.2851 -0.2630 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3173 2.7916 -1.2341 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7764 3.5723 -0.5887 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6247 2.9069 0.2591 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4130 2.2297 1.4118 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2581 2.1453 1.8596 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5863 1.6024 2.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8411 1.7925 1.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8516 1.1673 -0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1508 1.4900 -0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0391 0.5971 -1.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2900 1.0879 -1.7394 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4771 0.5975 -0.9408 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.4639 1.0615 0.4765 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2867 0.7866 1.1411 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7023 2.5539 0.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7357 2.6184 -0.7952 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.3574 3.6735 -1.6331 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6862 1.2856 -1.5295 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.9552 0.5854 -1.3471 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1063 -0.5581 -0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4690 -1.2032 -0.5981 C 0 0 1 0 0 0 0 0 0 0 0 0 -12.3044 -2.5338 -0.9882 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9172 -1.1456 0.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9576 -1.8787 1.7340 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3826 -1.8388 3.1843 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7530 -2.4628 3.3864 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7780 -3.9045 2.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2004 1.7086 -2.1503 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0634 2.2721 -3.0815 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6775 1.0817 -4.1340 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9732 1.6603 -4.7036 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6390 0.7596 -5.3964 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0768 -0.2350 -3.1996 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5140 -1.4240 -3.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8937 -2.5965 -2.7766 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2697 -3.7955 -3.3044 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7760 -2.0012 0.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5126 -2.3988 1.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0268 -2.4140 0.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2912 -3.2409 2.1621 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6039 -2.0613 3.8888 H 0 0 0 0 0 0 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23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 2 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 20 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 49 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 8 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 58 6 2 0 37 31 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 9 71 1 0 9 72 1 0 10 73 1 0 10 74 1 0 11 75 1 0 11 76 1 0 12 77 1 0 12 78 1 0 13 79 1 0 13 80 1 0 14 81 1 0 14 82 1 0 15 83 1 0 15 84 1 0 16 85 1 0 16 86 1 0 20 87 1 6 21 88 1 0 21 89 1 0 25 90 1 0 25 91 1 0 26 92 1 0 26 93 1 0 27 94 1 0 27 95 1 0 28 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 1 32101 1 1 33102 1 0 34103 1 0 34104 1 0 35105 1 1 36106 1 0 37107 1 6 38108 1 0 39109 1 0 40110 1 6 41111 1 0 42112 1 0 42113 1 0 43114 1 0 43115 1 0 44116 1 0 44117 1 0 45118 1 0 45119 1 0 46120 1 0 46121 1 0 46122 1 0 47123 1 0 47124 1 0 51125 1 0 53126 1 0 53127 1 0 54128 1 0 54129 1 0 55130 1 0 55131 1 0 57132 1 0 57133 1 0 57134 1 0 59135 1 0 59136 1 0 59137 1 0 M END