HMDB0113141 RDKit 3D PE-NMe(18:1(9Z)/16:1(9Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -7.7549 5.6746 0.3324 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0361 4.3131 -0.2781 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0070 3.3268 0.2070 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6423 3.8213 -0.2240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5530 2.8767 0.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1706 3.3477 -0.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8282 4.6662 0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8084 4.8421 1.1656 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9330 3.7625 1.5882 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5309 3.9400 1.1829 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2293 2.6925 1.7325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6727 2.6487 1.4447 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1068 2.7284 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7214 1.7655 -0.9784 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2968 1.6397 -1.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1146 0.6412 -2.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0440 0.5636 -2.9537 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1343 -0.1475 -2.9778 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9071 -1.0642 -4.0409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1908 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87 1 0 26 88 1 0 27 89 1 0 27 90 1 0 28 91 1 0 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 32 98 1 0 33 99 1 0 33100 1 0 34101 1 0 34102 1 0 35103 1 0 35104 1 0 36105 1 0 36106 1 0 37107 1 0 37108 1 0 38109 1 0 38110 1 0 39111 1 0 39112 1 0 40113 1 0 40114 1 0 40115 1 0 41116 1 0 41117 1 0 45118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 50124 1 0 50125 1 0 50126 1 0 M END