HMDB0009117 RDKit 3D PE(18:2(9Z,12Z)/P-18:1(9Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -15.4531 -3.4139 -1.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3862 -3.6398 0.3155 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2267 -2.4884 1.1991 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.0660 -1.6345 1.3109 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3963 -0.8883 0.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6350 -1.5664 -0.7898 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3302 -1.3569 -0.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5809 -0.4443 -0.0415 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0004 0.6178 -0.8579 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7331 0.9092 -0.9289 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6990 0.1928 -0.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0196 1.2103 0.7487 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3145 2.2933 0.0202 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1686 1.8157 -0.8225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1344 1.1229 0.0800 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6291 2.0980 1.1199 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9112 3.2752 0.5009 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6836 2.7640 -0.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1639 3.5125 -1.0630 O 0 0 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81 1 0 21 82 1 0 21 83 1 0 22 84 1 1 23 85 1 0 23 86 1 0 27 87 1 0 29 88 1 0 29 89 1 0 30 90 1 0 30 91 1 0 31 92 1 0 31 93 1 0 33 94 1 0 34 95 1 0 35 96 1 0 35 97 1 0 36 98 1 0 36 99 1 0 37100 1 0 37101 1 0 38102 1 0 38103 1 0 39104 1 0 39105 1 0 40106 1 0 40107 1 0 41108 1 0 42109 1 0 43110 1 0 43111 1 0 44112 1 0 44113 1 0 45114 1 0 45115 1 0 46116 1 0 46117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 49122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 M END