HMDB0009560 RDKit 3D PE(22:2(13Z,16Z)/20:1(11Z)) 145144 0 0 0 0 0 0 0 0999 V2000 -15.8996 5.1529 2.1394 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8880 3.6773 1.8286 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4511 3.1814 2.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3705 1.7097 1.8099 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9720 1.2118 2.0804 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0279 1.9247 1.2143 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2916 1.4072 0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1941 0.0284 -0.1522 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0176 -0.9945 0.4351 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5753 -2.0800 1.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1422 -2.3562 1.2629 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8135 -3.6878 0.6005 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3592 -4.0572 0.6963 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4788 -3.0227 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8203 -2.9062 -1.4282 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0666 -1.9483 -2.2535 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0882 -0.5208 -1.9881 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6302 0.1597 -0.7945 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2339 0.1095 -0.3431 C 0 0 0 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1 0 18 89 1 0 18 90 1 0 19 91 1 0 19 92 1 0 20 93 1 0 20 94 1 0 21 95 1 0 21 96 1 0 25 97 1 0 25 98 1 0 26 99 1 6 27100 1 0 27101 1 0 31102 1 0 33103 1 0 33104 1 0 34105 1 0 34106 1 0 35107 1 0 35108 1 0 39109 1 0 39110 1 0 40111 1 0 40112 1 0 41113 1 0 41114 1 0 42115 1 0 42116 1 0 43117 1 0 43118 1 0 44119 1 0 44120 1 0 45121 1 0 45122 1 0 46123 1 0 46124 1 0 47125 1 0 47126 1 0 48127 1 0 49128 1 0 50129 1 0 50130 1 0 51131 1 0 51132 1 0 52133 1 0 52134 1 0 53135 1 0 53136 1 0 54137 1 0 54138 1 0 55139 1 0 55140 1 0 56141 1 0 56142 1 0 57143 1 0 57144 1 0 57145 1 0 M END