HMDB0113772 RDKit 3D PE-NMe(11D5/9D5) 144145 0 0 0 0 0 0 0 0999 V2000 9.1850 -3.6378 5.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6896 -4.6383 4.4938 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8037 -4.5341 3.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3929 -4.8549 3.5321 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4099 -4.7994 2.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2980 -3.4515 1.7982 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4228 -2.5258 2.0362 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6251 -1.4389 1.2984 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7874 -0.2062 1.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8454 -0.1242 0.1383 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9472 1.0803 0.3012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9627 1.3207 -0.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4463 1.6800 -2.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1913 2.9742 -2.0830 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6954 3.5079 -3.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 3.7614 -4.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1646 4.3758 -5.6244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0943 4.5702 -6.6949 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5215 3.2624 -7.0817 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0673 2.6111 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0 28 97 1 0 30 98 1 0 30 99 1 0 31100 1 0 31101 1 0 32102 1 0 33103 1 0 33104 1 0 33105 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 41114 1 0 41115 1 0 42116 1 0 42117 1 0 43118 1 0 43119 1 0 44120 1 0 44121 1 0 48122 1 0 48123 1 0 49124 1 0 49125 1 0 50126 1 0 50127 1 0 51128 1 0 51129 1 0 52130 1 0 52131 1 0 52132 1 0 54133 1 0 54134 1 0 54135 1 0 56136 1 0 56137 1 0 56138 1 0 58139 1 0 58140 1 0 58141 1 0 60142 1 0 60143 1 0 60144 1 0 M END