HMDB0113798 RDKit 3D PE-NMe(13D5/9D3) 144145 0 0 0 0 0 0 0 0999 V2000 16.3575 -1.0965 -0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5273 0.3826 -0.2039 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2949 1.0892 -0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1257 0.9646 0.2843 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9155 1.7019 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8130 1.5596 0.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7558 0.8163 0.7095 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0284 0.9926 1.7850 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7265 0.2689 2.0425 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5753 1.2305 1.7242 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6673 1.6742 0.2947 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6597 2.6113 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2232 2.3481 -0.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6624 1.1906 -0.9098 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 -0.1726 -0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3885 -1.2402 -1.2370 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9808 -1.6000 -1.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8422 -0.7050 -1.3461 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4946 0.0858 -0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3928 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