HMDB0284780 RDKit 3D PE(DiMe(11,5)/PGD2) 141142 0 0 0 0 0 0 0 0999 V2000 -12.0217 0.4705 1.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6700 -0.8952 0.4571 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1610 -1.0797 0.4153 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5709 -0.9698 1.8074 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0822 -1.1397 1.8081 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6076 -2.4389 1.2902 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0732 -2.7556 0.1596 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7786 -4.0362 0.0708 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1518 -4.7326 -1.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6685 -4.9814 -0.8194 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9721 -3.6814 -0.5381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5154 -3.7827 -0.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2189 -4.7137 0.8525 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7110 -4.7282 1.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4264 -5.6951 2.2336 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0771 -5.6736 2.5328 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4853 -4.2873 2.9957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7925 -3.9159 4.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0736 -2.5172 4.7059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8638 -2.2097 5.8907 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5550 -1.5789 3.7843 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7712 -0.2641 4.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2362 0.6600 3.1750 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2203 0.7067 2.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0345 0.9803 2.4959 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1835 1.0170 1.2453 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.2689 -0.0043 1.5123 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9130 2.5261 1.1007 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4661 0.6160 -0.2328 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3716 0.6825 -1.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7443 0.3197 -2.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2070 -1.0308 -2.6023 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4915 0.3654 2.6050 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4859 1.3289 2.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1651 2.4645 3.0386 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8219 1.1038 1.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5738 2.4039 1.8542 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8827 3.4398 0.9795 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7454 4.6410 0.9765 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2913 5.2072 -0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1060 4.6965 -1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4094 4.3056 -2.0589 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1237 3.2053 -1.2817 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2086 2.1353 -1.2172 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1895 2.7924 -2.2707 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6133 3.0721 -3.6236 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2343 2.8509 -4.6417 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2603 3.6182 -3.3966 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7896 4.4983 -4.4674 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6377 4.1814 -5.0939 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0902 5.0016 -6.1740 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7357 4.5716 -7.3623 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6087 4.8822 -6.3652 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7822 5.2961 -5.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9696 4.5756 -3.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9353 5.1855 -2.9518 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0583 4.5048 -1.6195 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1473 -4.6352 1.2449 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0316 -6.0565 1.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6792 -3.6231 2.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2264 -3.7527 3.4084 C 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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 1 0 43 45 1 0 45 46 1 0 46 47 2 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 1 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 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 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