HMDB0009283 RDKit 3D PE(20:2(11Z,14Z)/14:0) 123122 0 0 0 0 0 0 0 0999 V2000 16.2042 0.9016 0.5892 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5508 -0.3335 -0.1401 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4421 -1.1863 -0.6422 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5019 -1.7475 0.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6490 -0.7500 1.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7862 0.0131 0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5003 0.0736 0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6631 -0.6248 1.3389 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9503 0.5149 2.0123 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6502 0.5952 2.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7369 -0.3905 1.4964 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8371 0.1387 0.3830 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6233 0.5753 -0.7963 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8919 1.0973 -1.9744 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1447 2.3630 -1.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0591 2.5807 -0.9344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8924 1.6530 -0.9434 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2406 1.6343 -2.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9872 0.7723 -2.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9729 1.3822 -1.4599 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1288 2.5013 -0.9213 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2263 0.7249 -1.2072 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2120 1.3681 -0.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3898 0.4241 -0.2562 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.8316 0.0660 -1.6509 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8580 -0.8853 -1.6582 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2855 -1.2430 -3.2716 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.9735 -1.2880 -4.0330 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2699 -0.0535 -3.9168 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9771 -2.7933 -3.3637 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1264 -2.7888 -2.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7571 -4.1693 -2.6423 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8170 -5.1586 -2.1565 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4416 0.9680 0.4607 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9658 0.5113 1.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 -0.5293 2.1551 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0939 1.2728 2.2268 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4513 0.6775 1.8948 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5976 -0.7115 2.4175 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9382 -1.3246 2.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0095 -0.4871 2.7571 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3936 -1.0620 2.5504 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3901 -0.1449 3.2167 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3933 1.2507 2.6705 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7198 1.2209 1.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0411 0.5926 0.9842 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5361 0.5478 -0.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7324 -0.1911 -1.3946 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4012 0.3523 -1.7189 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3542 0.7967 1.6901 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0317 1.6633 0.3256 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2911 1.4169 0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 17.2346 -0.9398 0.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1725 -0.0676 -1.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9174 -2.0467 -1.2098 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9013 -0.5931 -1.4417 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8041 -2.4920 -0.1314 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0692 -2.3310 1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0479 -1.3656 1.8450 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2369 -0.0737 1.7458 H 0 0 0 0 0 0 0 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96 1 0 37 97 1 0 37 98 1 0 38 99 1 0 38100 1 0 39101 1 0 39102 1 0 40103 1 0 40104 1 0 41105 1 0 41106 1 0 42107 1 0 42108 1 0 43109 1 0 43110 1 0 44111 1 0 44112 1 0 45113 1 0 45114 1 0 46115 1 0 46116 1 0 47117 1 0 47118 1 0 48119 1 0 48120 1 0 49121 1 0 49122 1 0 49123 1 0 M END