HMDB0285159 RDKit 3D PE(PGE1/DiMe(9,5)) 137138 0 0 0 0 0 0 0 0999 V2000 -14.7185 2.4992 2.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7657 1.1667 1.5385 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3702 0.5416 1.4779 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5146 -0.7762 0.7874 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2323 -1.5256 0.6845 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2143 -0.7710 -0.0477 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9921 -0.9504 -1.3590 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0465 -0.1629 -1.7642 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5188 -0.0805 -3.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1928 -0.8232 -3.1427 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5017 -0.8258 -4.4698 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1447 0.4962 -5.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3108 1.4369 -4.2778 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9410 1.1173 -3.8371 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8121 0.0354 -2.8200 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3884 -0.2093 -2.4124 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7500 0.9518 -1.7720 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2200 2.1031 -1.6547 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4661 0.7955 -1.2105 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7602 1.8253 -0.5842 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7326 1.8195 -0.9010 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 0.6018 -0.4342 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6240 0.2493 -0.5165 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4334 1.0334 -1.0417 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9969 -1.0998 0.0585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2330 -0.9217 1.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3634 0.0171 1.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6904 -0.4747 1.3100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0768 -1.7954 1.9179 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3537 -2.3825 1.4926 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5967 -1.5972 1.7463 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8558 -1.2796 3.1486 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5202 -0.2680 3.7204 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6028 -2.3938 3.7828 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1032 -3.2539 2.6414 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4379 -4.4692 2.6986 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8043 -2.4885 1.3636 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0118 -1.6766 1.0780 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6683 -1.6549 -0.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8669 -0.8184 -0.2759 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7515 -1.4550 -1.1282 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5520 0.5494 -0.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8575 1.3137 -1.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6150 2.6825 -1.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9743 3.3532 -1.7101 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8638 4.7493 -2.2751 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7932 1.4763 0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1351 1.4251 1.3459 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2070 1.0341 3.0060 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.6414 1.0416 3.4290 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3104 2.1304 3.9072 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5370 -0.5121 3.2566 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3652 -1.4802 2.7029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7603 -2.8333 2.9295 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5862 -3.8927 2.3683 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.6011 0.5787 -0.7179 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5443 1.5917 -0.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3435 0.1957 0.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1667 0.7242 1.7428 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6444 2.7047 2.7780 H 0 0 0 0 0 0 0 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0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 2 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 1 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 28 97 1 0 29 98 1 0 29 99 1 0 30100 1 0 30101 1 0 31102 1 6 34103 1 0 34104 1 0 35105 1 1 36106 1 0 37107 1 6 38108 1 0 39109 1 0 40110 1 1 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