HMDB0284778 RDKit 3D PE(DiMe(11,5)/PGE2) 141142 0 0 0 0 0 0 0 0999 V2000 -17.4543 1.9372 0.2330 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1612 3.3589 -0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0895 3.6434 -1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7165 3.2005 -0.7586 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4977 1.7251 -0.5749 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0291 1.4532 -0.3304 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1989 0.9898 -1.2024 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9671 0.8549 -0.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8518 0.3452 -1.5053 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4879 -1.0731 -1.4053 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9762 -1.6273 -0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6677 -1.0142 0.3188 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5912 -1.2134 -0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2718 -0.6241 -0.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6861 -1.2711 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3571 -0.6028 1.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6852 -1.2210 2.4434 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4316 -2.6862 2.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -2.7513 0.9319 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5862 -3.8055 0.2068 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7914 -1.7046 0.4819 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0561 -1.8478 -0.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7434 -0.6170 -1.0191 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3931 -0.7569 -2.3984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3299 -1.7547 -2.3692 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0993 -1.9497 -3.8661 P 0 0 0 0 0 5 0 0 0 0 0 0 2.0710 -1.7207 -4.9645 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3323 -0.8210 -4.1001 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7165 -3.4896 -4.0704 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4941 -4.3030 -2.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1048 -5.6592 -3.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9304 -6.5883 -2.1923 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7555 -0.3165 -0.1041 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9072 0.8556 0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0593 1.7638 0.4619 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0858 1.0125 1.5523 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 1.1184 0.6760 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5932 1.2760 1.4923 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 1.3139 0.4876 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6823 0.4451 0.3966 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7820 -0.6655 1.3573 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0651 -0.6804 2.1156 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0314 -1.7764 3.1861 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0481 -2.3100 3.5709 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4408 -1.9662 3.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2652 -1.3450 2.4283 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3590 -2.1274 2.1246 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2305 -1.3288 1.3430 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5867 -0.8314 0.0584 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7487 -0.2793 -0.3017 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9466 0.1880 -1.7061 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8051 0.7775 -2.2316 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0935 1.1670 -1.7081 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7516 2.3315 -0.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9401 3.2767 -0.8653 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7483 4.5065 -0.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5373 4.1676 1.4412 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0218 1.2691 0.5924 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9425 1.3738 1.6204 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3389 1.6494 0.8307 C 0 0 0 0 0 0 0 0 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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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 23 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 49 50 2 0 50 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 8 58 2 0 58 59 1 0 58 60 1 0 60 61 1 0 60 6 2 0 48 42 1 0 1 62 1 0 1 63 1 0 1 64 1 0 2 65 1 0 2 66 1 0 3 67 1 0 3 68 1 0 4 69 1 0 4 70 1 0 5 71 1 0 5 72 1 0 9 73 1 0 9 74 1 0 10 75 1 0 10 76 1 0 11 77 1 0 11 78 1 0 12 79 1 0 12 80 1 0 13 81 1 0 13 82 1 0 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 17 89 1 0 17 90 1 0 18 91 1 0 18 92 1 0 22 93 1 0 22 94 1 0 23 95 1 6 24 96 1 0 24 97 1 0 28 98 1 0 30 99 1 0 30100 1 0 31101 1 0 31102 1 0 32103 1 0 32104 1 0 36105 1 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