HMDB0114679 RDKit 3D PE-NMe2(11M3/11D5) 144145 0 0 0 0 0 0 0 0999 V2000 -7.8073 6.8586 0.7510 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2544 6.4107 -0.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0263 4.9123 -0.6083 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0258 4.4891 0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6459 5.0004 0.2131 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9804 4.4865 -1.0037 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1771 3.3974 -0.9489 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6994 3.1163 -2.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7689 1.9916 -2.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4250 0.8454 -3.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5149 0.1642 -2.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0118 -0.9849 -3.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0869 -1.8097 -2.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7010 -2.4327 -1.3035 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4385 -3.2981 -1.4757 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0346 -3.9130 -0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7463 -4.7332 -0.3058 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6358 -3.8612 -0.7716 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7041 -4.5322 -0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7923 -5.7235 -0.5352 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7391 -3.7580 -1.2588 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0884 -4.2600 -1.3476 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9079 -3.4891 -0.3794 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2877 -3.7690 -0.3195 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9864 -3.0099 0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2724 -2.1938 1.3281 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3966 -3.0390 0.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7751 -3.5463 2.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1211 -2.8112 3.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3302 -1.3474 3.5153 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4811 -0.8943 4.7177 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5315 0.5867 4.8753 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6865 1.0357 6.0500 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2446 0.5723 5.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6113 1.0822 4.6518 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2059 0.5947 4.4831 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2863 1.0036 5.5581 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4791 2.0676 5.4651 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2310 2.2350 6.5240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2494 3.2807 6.8446 C 0 0 0 0 0 0 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1 0 28 97 1 0 28 98 1 0 29 99 1 0 29100 1 0 30101 1 0 30102 1 0 31103 1 0 31104 1 0 32105 1 0 32106 1 0 33107 1 0 33108 1 0 34109 1 0 34110 1 0 35111 1 0 35112 1 0 36113 1 0 36114 1 0 40115 1 0 40116 1 0 41117 1 0 41118 1 0 42119 1 0 42120 1 0 42121 1 0 43122 1 0 45123 1 0 45124 1 0 45125 1 0 46126 1 0 46127 1 0 50128 1 0 52129 1 0 52130 1 0 53131 1 0 53132 1 0 55133 1 0 55134 1 0 55135 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