HMDB0284814 RDKit 3D PE(DiMe(11,5)/20:5(5Z,8Z,11Z,14Z,16E)-OH(18R)) 137137 0 0 0 0 0 0 0 0999 V2000 -4.3026 3.6695 -6.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2831 3.1817 -5.0380 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9890 3.9735 -5.1406 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9636 3.4630 -4.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2789 4.3071 -4.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3606 3.8937 -3.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6695 4.4867 -2.2270 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6774 3.8824 -1.5789 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2304 4.3537 -0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7324 3.7352 0.9389 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9996 2.2963 1.2032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4861 2.0057 1.3597 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7880 0.5574 1.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1186 -0.0127 2.8261 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5074 -1.4757 2.9477 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8679 -2.1391 4.1505 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3030 -3.5593 4.1912 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7669 -4.4072 5.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3052 -4.5916 5.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7376 -5.3457 6.1087 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5258 -3.9283 4.3899 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1195 -4.0153 4.2724 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2520 -3.0364 3.1648 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7059 -3.3772 2.0094 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5043 -4.6310 1.4924 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6317 -4.8771 0.2213 P 0 0 0 0 0 5 0 0 0 0 0 0 3.0331 -4.5325 0.6869 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2101 -3.7982 -1.0030 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6077 -6.4698 -0.2946 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0403 -7.3508 0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 -8.7546 0.0827 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6440 -9.0717 -0.3193 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1241 -1.7197 3.5266 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6892 -0.5979 3.3525 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7922 -0.7895 2.8528 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1470 0.7149 3.7794 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8058 1.9030 3.2454 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2847 2.0942 3.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7261 3.3661 2.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6885 3.4404 2.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5792 2.3548 1.6185 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3377 2.1873 0.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0156 1.0478 -0.3645 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8754 -0.2319 0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8595 -1.1473 -0.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5964 -2.3537 -0.5957 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2879 -2.9487 -0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5766 -3.3132 -1.7071 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8583 -3.1515 -2.9566 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0343 -2.5132 -3.4851 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2076 -2.4283 -4.8053 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3965 -1.7807 -5.3718 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5522 -0.4693 -4.8964 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6875 -2.5334 -5.1030 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7874 -1.7061 -5.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0465 2.8088 -2.3215 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1334 1.7872 -2.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1969 2.8139 -3.4450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2583 1.8133 -4.5261 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8298 4.3133 -6.8031 H 0 0 0 0 0 0 0 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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 2 0 43 44 1 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 1 0 48 49 2 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 52 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 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 17 87 1 0 17 88 1 0 18 89 1 0 18 90 1 0 22 91 1 0 22 92 1 0 23 93 1 6 24 94 1 0 24 95 1 0 28 96 1 0 30 97 1 0 30 98 1 0 31 99 1 0 31100 1 0 32101 1 0 32102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 0 40110 1 0 41111 1 0 41112 1 0 42113 1 0 43114 1 0 44115 1 0 44116 1 0 45117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 49122 1 0 50123 1 0 51124 1 0 52125 1 6 53126 1 0 54127 1 0 54128 1 0 55129 1 0 55130 1 0 55131 1 0 57132 1 0 57133 1 0 57134 1 0 59135 1 0 59136 1 0 59137 1 0 M END