HMDB0009829 RDKit 3D PI(18:1(11Z)/20:1(11Z)) 148148 0 0 0 0 0 0 0 0999 V2000 0.1086 -9.9264 -3.8957 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4110 -8.6440 -3.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6638 -7.6556 -3.3164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5830 -6.3297 -2.7409 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5480 -6.0918 -1.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6249 -6.6046 -0.5278 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4590 -6.1517 0.9046 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2783 -5.3832 1.5546 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -4.8170 1.0289 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7680 -5.2049 1.7725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7033 -4.7677 3.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5089 -3.2677 3.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6040 -2.4694 2.6943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2800 -0.9604 2.7973 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1488 -0.4992 4.1963 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7757 0.9132 4.4591 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6177 2.0083 3.9635 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7041 2.1765 2.5122 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6931 2.8738 2.0531 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8614 1.6914 1.5445 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1016 1.9711 0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0805 1.2328 -0.6466 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4238 1.4759 -2.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3606 2.8237 -2.4294 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7822 3.0386 -4.0459 P 0 0 0 0 0 5 0 0 0 0 0 0 4.1828 1.6705 -4.6017 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0747 4.1265 -4.1724 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5056 3.6609 -4.9243 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7456 4.9595 -5.3948 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7520 4.9195 -6.8906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 4.3370 -7.2689 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6639 6.2526 -7.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4038 6.0508 -8.9143 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6411 7.1720 -6.9304 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7099 8.3908 -7.5520 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0612 7.2941 -5.4582 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4498 8.3415 -4.8167 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7356 5.9374 -4.8417 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8428 5.9625 -3.4547 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7987 1.6397 -0.2734 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8709 0.7587 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3089 -0.4364 0.4192 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4889 1.0862 0.7075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2457 2.0161 -0.1776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 3.3614 -0.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4272 4.1212 0.8985 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7014 4.3550 1.6819 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3284 5.1412 2.9394 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4734 5.4374 3.8270 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2981 4.3476 4.3816 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6654 3.3322 5.2559 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6641 2.4246 4.7042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8472 1.0924 4.7037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0166 0.4231 5.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7579 -0.4336 4.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9451 -1.0151 4.8935 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7505 -1.9013 3.9975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9254 -3.0842 3.5084 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8172 -3.9376 2.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0194 -5.1173 2.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8084 -4.7073 1.3576 C 0 0 0 0 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