HMDB0112957 RDKit 3D PE-NMe(16:1(9Z)/18:1(11Z)) 126125 0 0 0 0 0 0 0 0999 V2000 -6.0704 -5.8782 4.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8399 -5.9020 5.5811 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0188 -4.6248 5.4112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8004 -4.6936 6.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9068 -3.4944 6.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6771 -2.2507 6.6226 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7997 -1.0629 6.5389 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1053 -0.0476 5.7728 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2679 0.1387 4.9072 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8579 0.3059 3.4421 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0974 0.5348 2.5620 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5566 0.6753 1.1163 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6799 0.9344 0.1634 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3529 1.1055 -1.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8276 0.0257 -2.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5933 -0.6954 -1.7354 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2271 -1.7133 -2.8303 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9391 -1.0960 -4.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9437 -1.8007 -5.1642 O 0 0 0 0 0 0 0 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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 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