HMDB0113965 RDKit 3D PE-NMe2(16:1(9Z)/16:0) 125124 0 0 0 0 0 0 0 0999 V2000 -3.1421 0.8292 -7.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2544 -0.4156 -7.1932 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1136 -1.5164 -6.6756 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4002 -2.8479 -6.5233 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2721 -2.6408 -5.5609 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4755 -3.9042 -5.2981 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2655 -4.9820 -4.7292 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0350 -5.5328 -3.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0526 -5.1273 -2.6699 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9932 -6.2922 -2.4059 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3522 -7.4672 -1.7482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2636 -7.1511 -0.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7460 -6.5978 0.5693 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1295 -6.3162 1.9074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0602 -5.7229 2.9116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5891 -4.4100 2.5398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1826 -3.8535 1.5025 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5273 -3.7912 3.3270 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0573 -2.5223 3.0273 C 0 0 0 0 0 0 0 0 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1 0 31 92 1 0 31 93 1 0 31 94 1 0 35 95 1 0 35 96 1 0 36 97 1 0 36 98 1 0 37 99 1 0 37100 1 0 38101 1 0 38102 1 0 39103 1 0 39104 1 0 40105 1 0 40106 1 0 41107 1 0 41108 1 0 42109 1 0 42110 1 0 43111 1 0 43112 1 0 44113 1 0 44114 1 0 45115 1 0 45116 1 0 46117 1 0 46118 1 0 47119 1 0 47120 1 0 48121 1 0 48122 1 0 49123 1 0 49124 1 0 49125 1 0 M END