HMDB0113803 RDKit 3D PE-NMe(13M5/11M3) 144145 0 0 0 0 0 0 0 0999 V2000 -14.8346 2.1981 -1.6043 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7131 0.7268 -1.2809 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8002 0.5116 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7150 -0.9746 0.1622 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8491 -1.3499 1.3165 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4250 -0.8880 1.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9239 0.3055 1.5908 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5648 0.2999 1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6545 1.4197 1.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3159 -0.8631 0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0921 -1.4029 -0.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7192 -0.9407 -1.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3052 0.4631 -1.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0315 0.7950 -0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6624 2.2258 -1.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4514 2.7312 -0.4852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0711 2.4286 -0.8118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6324 1.0208 -0.9980 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0135 0.5250 -2.3519 C 0 0 0 0 0 0 0 0 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