HMDB0113966 RDKit 3D PE-NMe2(16:1(9Z)/18:2(9Z,12Z)) 127126 0 0 0 0 0 0 0 0999 V2000 -6.5324 2.5046 -3.7308 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5980 2.7438 -5.2197 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5823 1.4133 -5.9455 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3224 0.6376 -5.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4156 -0.6890 -6.4064 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2059 -1.4599 -6.1546 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2140 -2.6266 -5.5553 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4727 -3.2428 -5.0878 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4515 -3.4027 -3.6232 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5844 -4.5443 -3.0164 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7782 -5.8766 -3.5372 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7559 -6.8858 -3.1381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3712 -6.7959 -3.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6673 -5.5135 -3.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2548 -5.5309 -3.7805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4335 -4.3490 -3.7171 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0358 -3.5803 -2.5694 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 -2.8585 -1.7631 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2687 -3.0062 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0 16 79 1 0 16 80 1 0 17 81 1 0 17 82 1 0 21 83 1 0 22 84 1 0 22 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 0 30 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 34101 1 0 35102 1 0 35103 1 0 36104 1 0 36105 1 0 37106 1 0 37107 1 0 38108 1 0 38109 1 0 39110 1 0 39111 1 0 40112 1 0 40113 1 0 40114 1 0 41115 1 0 41116 1 0 45117 1 0 47118 1 0 47119 1 0 48120 1 0 48121 1 0 50122 1 0 50123 1 0 50124 1 0 51125 1 0 51126 1 0 51127 1 0 M END