HMDB0284675 RDKit 3D PE(PGE2/DiMe(11,3)) 135136 0 0 0 0 0 0 0 0999 V2000 4.5458 -0.1574 -6.3739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5015 0.0889 -7.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2277 -0.6526 -7.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7016 -0.1725 -5.7288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4287 -0.8190 -5.2791 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4625 -2.2886 -5.0768 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7827 -2.9527 -6.2456 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8181 -2.8286 -4.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9603 -2.1923 -4.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2494 -2.6475 -4.0341 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2199 -2.6732 -5.2011 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5114 -2.4586 -4.7725 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9884 -4.0432 -5.7880 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6005 -4.8628 -4.6270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5513 -6.1025 -4.6818 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2902 -4.0079 -3.4264 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.5106 -4.1680 -2.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4998 -5.5243 -1.9351 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4453 -5.7292 -0.6453 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3877 -4.6789 0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1170 -4.8800 1.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9462 -3.8091 2.2324 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7306 -4.0247 3.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5553 -5.2186 3.4524 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7957 -3.0909 3.3876 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3259 -3.4282 4.1858 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2807 -2.2513 4.3306 C 0 0 2 0 0 0 0 0 0 0 0 0 2.5228 -2.7578 4.9652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5994 -1.8769 4.9636 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9481 -2.5706 5.7199 P 0 0 0 0 0 5 0 0 0 0 0 0 5.1546 -3.9824 5.1643 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7110 -2.7472 7.3810 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3266 -1.6704 5.4300 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0270 -0.3350 5.1411 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2590 0.4796 4.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0160 -0.0436 3.7495 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7240 -1.1141 4.8849 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5092 0.0258 4.1566 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8527 -0.0507 2.9275 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0767 1.3087 4.6766 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2711 2.2604 3.5447 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7994 3.6115 3.8767 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9417 4.3879 2.5222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3985 5.7245 2.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6558 6.7809 1.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6918 7.2947 0.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1868 6.7683 -0.3809 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2819 5.3667 -0.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9144 4.4772 -0.6746 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6235 3.0270 -0.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4547 2.3293 -0.6129 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2475 1.0360 -0.6619 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2319 -0.0432 -0.5977 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5358 -0.7195 -1.9112 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5774 -1.7989 -1.5670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1133 0.8703 -0.7864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9128 -0.3818 -0.8789 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6757 2.1042 -0.8067 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1432 2.4173 -0.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4639 -1.1887 -5.9854 H 0 0 0 0 0 0 0 0 0 0 0 0 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39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 52 56 2 0 56 57 1 0 56 58 1 0 58 59 1 0 16 10 1 0 58 50 2 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 1 7 72 1 0 8 73 1 0 9 74 1 0 10 75 1 1 11 76 1 6 12 77 1 0 13 78 1 0 13 79 1 0 16 80 1 1 17 81 1 0 17 82 1 0 18 83 1 0 19 84 1 0 20 85 1 0 20 86 1 0 21 87 1 0 21 88 1 0 22 89 1 0 22 90 1 0 26 91 1 0 26 92 1 0 27 93 1 6 28 94 1 0 28 95 1 0 32 96 1 0 34 97 1 0 34 98 1 0 35 99 1 0 35100 1 0 36101 1 0 36102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 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 53123 1 0 53124 1 0 54125 1 0 54126 1 0 55127 1 0 55128 1 0 55129 1 0 57130 1 0 57131 1 0 57132 1 0 59133 1 0 59134 1 0 59135 1 0 M END