HMDB0276641 RDKit 3D PI(PGE1/18:1(9Z)) 147148 0 0 0 0 0 0 0 0999 V2000 17.0154 2.3143 3.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4106 2.1457 1.9903 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1826 2.9666 1.9766 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3951 3.0256 0.7425 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6864 1.8403 0.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4955 0.6260 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6399 -0.4908 -0.6576 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5364 -0.9149 0.2534 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7478 -1.9992 -0.3634 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4701 -1.8680 -0.6009 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6274 -0.7048 -0.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5218 -1.1032 0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6453 -2.1796 0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9607 -1.7796 -1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0623 -0.5580 -1.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4591 -0.2936 -2.3713 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5345 0.8726 -2.4314 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3774 0.7002 -1.5091 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1041 1.4682 -0.5561 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 -0.3949 -1.7061 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3906 -0.6546 -0.9021 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6268 -2.0100 -0.1918 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4733 -2.6116 0.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3867 -2.8084 1.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0117 -1.9271 1.8377 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6953 -4.2484 1.5295 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6392 -4.7489 0.4817 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9367 -5.1558 1.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8250 -3.9717 1.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1909 -4.0985 0.8021 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1977 -3.1128 1.1929 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0093 -2.3526 0.2163 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7556 -1.3065 0.9572 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9784 -1.5661 2.1478 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2947 -0.0061 0.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9452 1.0377 1.6010 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3308 0.4380 2.6938 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2893 2.2639 1.0757 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.2776 2.8174 0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0707 3.8327 0.2612 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0067 4.3210 -0.7621 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.5107 3.9950 -2.0318 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4264 3.9330 -0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7029 2.4593 -0.5765 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1740 2.1756 -0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7584 2.6964 0.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2477 2.3229 0.8807 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9112 2.2878 0.6392 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3339 3.4852 1.1851 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9571 1.1963 0.6400 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9996 0.2343 1.6264 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4524 0.5910 -0.6146 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3810 -0.2336 -0.2498 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9261 0.1709 -0.9680 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1794 0.8869 -2.2757 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0795 1.1852 0.0873 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9484 -1.2020 -1.2264 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2195 -0.8119 -1.8646 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2141 -0.0435 -1.6574 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1998 0.7981 -2.2631 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5298 -1.4735 -1.7760 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3165 -2.1669 -1.9684 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6197 -2.1884 -1.1635 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7819 -1.9480 -2.0004 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1542 2.1873 4.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8274 1.6043 3.5537 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3161 3.3775 3.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1983 2.5678 1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3838 1.0975 1.8208 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5557 2.5913 2.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4320 4.0536 2.2499 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0595 3.3660 -0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6057 3.8608 0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1269 2.1448 -0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8575 1.5749 1.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4106 0.7563 -0.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7492 0.1759 1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3019 -1.3463 -0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3291 -0.0897 -1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0579 -1.4045 1.1430 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9364 -0.1285 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1 0 6 77 1 0 7 78 1 0 7 79 1 0 8 80 1 0 8 81 1 0 9 82 1 0 10 83 1 0 11 84 1 0 11 85 1 0 12 86 1 0 12 87 1 0 13 88 1 0 13 89 1 0 14 90 1 0 14 91 1 0 15 92 1 0 15 93 1 0 16 94 1 0 16 95 1 0 17 96 1 0 17 97 1 0 21 98 1 1 22 99 1 0 22100 1 0 26101 1 0 26102 1 0 27103 1 0 27104 1 0 28105 1 0 28106 1 0 29107 1 0 29108 1 0 30109 1 0 30110 1 0 31111 1 0 31112 1 0 32113 1 6 35114 1 0 35115 1 0 36116 1 1 37117 1 0 38118 1 1 39119 1 0 40120 1 0 41121 1 6 42122 1 0 43123 1 0 43124 1 0 44125 1 0 44126 1 0 45127 1 0 45128 1 0 46129 1 0 46130 1 0 47131 1 0 47132 1 0 47133 1 0 48134 1 6 49135 1 0 50136 1 1 51137 1 0 52138 1 6 56139 1 0 58140 1 0 58141 1 0 59142 1 6 60143 1 0 61144 1 6 62145 1 0 63146 1 6 64147 1 0 M END