HMDB0113779 RDKit 3D PE-NMe(11M3/13M5) 144145 0 0 0 0 0 0 0 0999 V2000 -13.9960 5.1851 4.2277 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4514 5.9368 3.0632 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2057 5.3479 2.4981 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4278 3.9270 1.9976 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0945 3.4690 1.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2893 2.0611 0.9341 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4652 1.3445 0.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1656 0.1182 0.3721 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1502 -0.9829 0.1804 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8463 0.1903 0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0776 -0.9293 -0.6116 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4857 -0.8914 -2.0519 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8064 -1.8799 -2.8914 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3405 -1.8041 -3.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7305 -0.6042 -3.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6713 0.6701 -2.9346 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7585 0.6338 -1.6979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3160 0.4058 -2.1331 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3696 0.3575 -0.9670 C 0 0 0 0 0 0 0 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