HMDB0009870 RDKit 3D PI(20:1(11Z)/18:1(11Z)) 148148 0 0 0 0 0 0 0 0999 V2000 -7.4797 -5.8447 -4.1024 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1233 -6.8307 -3.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8778 -6.4450 -2.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6555 -6.3437 -3.1603 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5005 -5.9514 -2.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1874 -5.7923 -3.0803 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1313 -5.3970 -2.1344 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4199 -4.3078 -2.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5770 -3.2629 -3.1262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7070 -2.9490 -3.9199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2914 -1.8369 -4.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3871 -1.3084 -5.7023 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9608 -0.2009 -6.6218 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3729 0.9764 -5.8583 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0065 2.0538 -6.8138 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6801 3.2477 -6.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0774 3.1307 -5.7998 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2714 2.1495 -4.7489 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7876 1.0387 -5.1118 O 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 5.2467 -2.2444 3.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3154 -2.0345 2.0759 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5610 -1.3243 2.4226 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4504 -1.4181 1.1378 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1668 0.6666 -1.6534 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5140 1.4239 -0.7647 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 0.8559 0.2349 P 0 0 0 0 0 5 0 0 0 0 0 0 1.1171 -0.5096 -0.2321 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9465 1.7859 0.5718 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1683 0.5417 1.7327 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6245 -0.7732 1.8049 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0370 -1.5259 2.9285 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3544 -1.0857 2.9855 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5903 -1.3263 4.2626 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2183 -0.6174 5.1565 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9101 -0.5918 4.2021 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6775 0.7096 3.8502 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7237 -1.2670 3.1211 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0561 -0.8590 3.1405 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1240 -0.8912 1.8088 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5573 -1.8837 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0 10 79 1 0 10 80 1 0 11 81 1 0 11 82 1 0 12 83 1 0 12 84 1 0 13 85 1 0 13 86 1 0 14 87 1 0 14 88 1 0 15 89 1 0 15 90 1 0 16 91 1 0 16 92 1 0 17 93 1 0 17 94 1 0 21 95 1 6 22 96 1 0 22 97 1 0 26 98 1 0 26 99 1 0 27100 1 0 27101 1 0 28102 1 0 28103 1 0 29104 1 0 29105 1 0 30106 1 0 30107 1 0 31108 1 0 31109 1 0 32110 1 0 32111 1 0 33112 1 0 33113 1 0 34114 1 0 34115 1 0 35116 1 0 36117 1 0 37118 1 0 37119 1 0 38120 1 0 38121 1 0 39122 1 0 39123 1 0 40124 1 0 40125 1 0 41126 1 0 41127 1 0 42128 1 0 42129 1 0 43130 1 0 43131 1 0 44132 1 0 44133 1 0 44134 1 0 45135 1 0 45136 1 0 49137 1 0 51138 1 6 52139 1 0 53140 1 0 54141 1 0 55142 1 0 56143 1 0 57144 1 0 58145 1 1 59146 1 0 60147 1 0 61148 1 0 M END