HMDB0113309 RDKit 3D PE-NMe(20:1(11Z)/14:1(9Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -9.7592 -6.9599 -0.0744 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4989 -6.5259 -1.3007 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5337 -5.0794 -1.5856 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2206 -4.1905 -0.6408 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7030 -4.1853 0.7196 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1908 -3.1603 1.3541 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0509 -1.8234 0.7895 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5512 -1.4298 0.7861 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7751 -2.3533 -0.0417 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3282 -2.2132 -0.2099 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3811 -2.3514 0.8809 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3775 -1.5332 2.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2461 -0.0770 2.0524 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0290 0.4647 1.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3404 -0.1921 0.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6280 1.7561 1.7353 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4786 2.3551 1.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3576 2.4127 2.2157 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2675 3.0587 1.6537 O 0 0 0 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82 1 0 24 83 1 0 24 84 1 0 25 85 1 0 25 86 1 0 26 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