HMDB0285090 RDKit 3D PE(DiMe(9,5)/PGE2) 135136 0 0 0 0 0 0 0 0999 V2000 -9.6055 3.4550 -3.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7928 4.5540 -1.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1763 5.0634 -2.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3073 4.1611 -1.8813 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5989 3.4808 -0.6402 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6613 2.5847 0.0188 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5275 1.2795 -0.1705 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6004 0.7697 0.5666 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1692 -0.6526 0.6262 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8052 -0.7967 -0.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4349 -2.2218 -0.0087 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1713 -2.7083 -0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8710 -2.3503 0.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5126 -0.9130 0.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0917 -0.7291 0.6315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0319 -1.3514 -0.2175 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6943 -1.1586 0.4543 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4965 -2.0166 1.3912 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7781 -0.2017 0.1361 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4632 -0.1274 0.8441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2915 -1.3323 0.5338 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2518 -1.6116 1.6238 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8019 -2.8811 1.6104 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -3.1615 2.9455 P 0 0 0 0 0 5 0 0 0 0 0 0 5.2084 -3.4404 2.6385 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6969 -1.8853 4.0588 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0898 -4.5088 3.7530 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4273 -5.3347 2.8536 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7986 -6.5139 3.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7401 -7.3463 4.2502 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7273 -1.4126 -0.7806 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3442 -2.2724 -1.7583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4636 -3.1380 -1.4548 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8764 -2.2569 -3.1113 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 -1.9974 -3.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8403 -0.6803 -2.8115 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2874 -0.5785 -3.0811 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2521 -0.4098 -2.2182 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9835 -0.2963 -0.7857 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6837 -1.3491 0.0482 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3220 -2.7369 -0.3105 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2282 -3.2449 -0.4967 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5894 -3.5525 -0.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5679 -2.7215 0.3911 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8797 -3.0422 0.0944 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1841 -1.3252 -0.0890 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7897 -0.2581 0.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5166 0.6912 0.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1412 1.7759 0.9245 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5337 1.5585 1.0102 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9704 3.1094 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6325 3.1049 -1.1467 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4784 4.3203 -1.9733 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9529 5.6222 -1.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2685 6.1358 -0.2476 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0491 1.7724 1.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9400 1.6862 2.3232 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7267 2.9158 0.9654 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4713 4.2704 1.5653 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7144 3.6659 -3.6629 H 0 0 0 0 0 0 0 0 0 0 0 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37 1 0 37 38 2 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 41 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 2 0 48 49 1 0 49 50 1 0 49 51 1 0 51 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 46 40 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 0 20 88 1 0 21 89 1 6 22 90 1 0 22 91 1 0 26 92 1 0 28 93 1 0 28 94 1 0 29 95 1 0 29 96 1 0 30 97 1 0 30 98 1 0 34 99 1 0 34100 1 0 35101 1 0 35102 1 0 36103 1 0 36104 1 0 37105 1 0 38106 1 0 39107 1 0 39108 1 0 40109 1 1 43110 1 0 43111 1 0 44112 1 1 45113 1 0 46114 1 6 47115 1 0 48116 1 0 49117 1 1 50118 1 0 51119 1 0 51120 1 0 52121 1 0 52122 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