HMDB0284878 RDKit 3D PE(DiMe(13,5)/20:4(5E,8Z,12Z,14Z)-OH(11R)) 145145 0 0 0 0 0 0 0 0999 V2000 0.8035 -6.5328 -1.5212 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2710 -6.1978 -1.6158 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4307 -5.1362 -2.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8809 -4.7404 -2.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0122 -3.7130 -3.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3036 -2.4912 -3.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3184 -2.0237 -4.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8043 -2.6642 -5.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8274 -2.1131 -6.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2109 -0.8294 -5.8316 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0325 -0.7132 -6.4778 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0562 0.3143 -6.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4760 1.5979 -6.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0708 2.5541 -5.4189 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4297 2.4053 -4.8872 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3544 2.6738 -3.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5904 1.8164 -2.4565 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4860 2.2279 -1.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 1.4790 -0.3694 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2479 1.7558 1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0470 3.1440 1.4786 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0017 4.0491 0.6216 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9034 3.5441 2.8234 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7673 4.9823 3.0803 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9078 5.2626 4.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0478 4.6077 3.6168 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2903 4.5318 4.1586 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5839 5.1052 5.1985 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3451 3.6838 3.4481 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9844 2.2579 3.8042 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 1.1744 3.1871 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2563 -0.1827 3.6622 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9606 -1.3324 3.0394 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3897 -2.6581 3.5679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9150 -2.7550 3.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5368 -2.7123 1.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -2.7995 1.7528 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5662 -2.7857 0.3285 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0973 -2.8571 0.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6846 -1.7303 0.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1559 -1.8996 0.5585 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1240 -2.2382 1.3370 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2797 -2.2742 0.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6445 -2.6070 1.2491 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5485 -1.4134 1.3302 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0638 -0.3204 2.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0872 0.8054 2.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6256 1.9208 3.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0670 -1.9181 -0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0645 -1.8035 -1.6726 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7179 -1.6789 -0.7049 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0230 -1.2579 -1.9662 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5060 5.0491 3.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5769 4.5047 3.2003 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9942 4.4932 4.1374 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.9567 5.4822 3.5351 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6749 4.9304 5.7362 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7107 2.9461 4.0674 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9434 2.1113 4.8799 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4316 0.6864 4.9091 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5756 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24 93 1 6 25 94 1 0 25 95 1 0 29 96 1 0 29 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 32103 1 0 33104 1 0 33105 1 0 34106 1 0 34107 1 0 35108 1 0 35109 1 0 36110 1 0 36111 1 0 37112 1 0 37113 1 0 38114 1 0 38115 1 0 39116 1 0 39117 1 0 40118 1 0 40119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 46124 1 0 46125 1 0 47126 1 0 47127 1 0 48128 1 0 48129 1 0 48130 1 0 50131 1 0 50132 1 0 50133 1 0 52134 1 0 52135 1 0 52136 1 0 53137 1 0 53138 1 0 57139 1 0 59140 1 0 59141 1 0 60142 1 0 60143 1 0 61144 1 0 61145 1 0 M END