HMDB0112961 RDKit 3D PE-NMe(16:0/18:1(11Z)) 128127 0 0 0 0 0 0 0 0999 V2000 13.0679 -0.2622 1.4781 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0131 1.1970 1.8605 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8086 1.9939 0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7400 3.4440 0.8266 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5799 4.2806 -0.3865 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3652 4.1295 -1.2212 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0757 2.8641 -1.8664 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0029 2.1000 -1.7342 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9067 2.4900 -0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6249 2.6772 -1.6679 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5306 3.0677 -0.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1872 2.0895 0.3263 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7407 0.7361 0.0058 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4928 0.5039 -0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4967 0.9737 -2.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2877 0.7888 -3.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0200 1.4346 -2.6827 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3679 1.0622 -1.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3478 1.7666 -0.3718 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6825 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1 0 12 72 1 0 12 73 1 0 13 74 1 0 13 75 1 0 14 76 1 0 14 77 1 0 15 78 1 0 15 79 1 0 16 80 1 0 16 81 1 0 17 82 1 0 17 83 1 0 21 84 1 0 22 85 1 0 22 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 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 36107 1 0 36108 1 0 37109 1 0 37110 1 0 38111 1 0 38112 1 0 39113 1 0 39114 1 0 40115 1 0 40116 1 0 40117 1 0 41118 1 0 41119 1 0 45120 1 0 47121 1 0 47122 1 0 48123 1 0 48124 1 0 49125 1 0 50126 1 0 50127 1 0 50128 1 0 M END