HMDB0283947 RDKit 3D PE(PGE2/22:2(13Z,16Z)) 142142 0 0 0 0 0 0 0 0999 V2000 -1.3016 -4.8533 2.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1057 -4.5331 3.2920 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3410 -3.0556 3.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1107 -2.3028 2.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0057 -2.7714 1.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4284 -2.6673 1.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2823 -1.9767 0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9608 -1.1790 -0.5831 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6703 -1.8330 -1.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0278 -2.3061 -2.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5984 -2.1742 -2.9131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0730 -1.5688 -4.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0489 -2.4020 -5.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2204 -2.8895 -6.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6865 -3.9929 -7.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3361 -5.1827 -6.2458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6453 -6.3150 -6.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4921 -7.5093 -6.1016 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2225 -7.5461 -4.8426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6513 -7.3300 -4.6879 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3570 -6.0909 -4.9727 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9767 -4.8951 -4.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9258 -4.8892 -3.4836 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7335 -3.7583 -4.1272 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5087 -2.5551 -3.4824 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2482 -2.4127 -2.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9967 -1.0894 -1.6242 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4724 -0.6632 -0.4037 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1184 -1.5372 0.2601 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3048 0.6668 0.1498 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0824 1.4383 -0.0840 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8461 0.8445 0.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2758 1.7459 0.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9760 2.4558 1.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 2.4838 2.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9809 2.2028 3.3722 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6381 0.9190 3.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2183 -0.1847 3.3796 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0446 1.1968 2.7225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3406 2.5246 3.4570 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3956 3.1807 2.8681 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0240 3.2495 3.2743 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9024 4.3988 4.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9533 4.6033 5.0503 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0491 5.8615 5.8718 C 0 0 1 0 0 0 0 0 0 0 0 0 2.1889 6.9495 5.0155 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7902 6.0664 6.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5281 4.9310 7.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7777 5.2378 8.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0582 4.0904 9.3392 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3474 4.4088 10.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6962 -1.3613 -4.3468 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4850 -0.1675 -3.6991 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7568 1.1429 -4.7419 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.8651 0.6647 -6.1807 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2383 1.8287 -4.3182 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5752 2.3127 -4.6844 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0982 3.5965 -4.5093 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9302 4.5607 -4.4959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3744 5.9265 -4.3161 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4811 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0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 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 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 2 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 43 44 2 0 44 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 25 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 42 36 1 0 1 61 1 0 1 62 1 0 1 63 1 0 2 64 1 0 2 65 1 0 3 66 1 0 3 67 1 0 4 68 1 0 4 69 1 0 5 70 1 0 5 71 1 0 6 72 1 0 7 73 1 0 8 74 1 0 8 75 1 0 9 76 1 0 10 77 1 0 11 78 1 0 11 79 1 0 12 80 1 0 12 81 1 0 13 82 1 0 13 83 1 0 14 84 1 0 14 85 1 0 15 86 1 0 15 87 1 0 16 88 1 0 16 89 1 0 17 90 1 0 17 91 1 0 18 92 1 0 18 93 1 0 19 94 1 0 19 95 1 0 20 96 1 0 20 97 1 0 21 98 1 0 21 99 1 0 25100 1 1 26101 1 0 26102 1 0 30103 1 0 30104 1 0 31105 1 0 31106 1 0 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