HMDB0113833 RDKit 3D PE-NMe(9M5/13M5) 144145 0 0 0 0 0 0 0 0999 V2000 15.2480 4.9845 2.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2520 5.9171 2.1103 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8426 5.7286 2.4874 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1770 4.4885 2.0887 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7152 3.2078 2.6346 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8564 2.0855 2.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1706 1.4391 0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1673 0.5126 0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1078 -0.4505 -0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2982 0.6079 1.7912 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0552 -0.1627 2.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8170 0.4432 1.5654 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6090 0.7871 0.1724 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6112 -0.1792 -0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5853 -1.3010 -0.8860 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8650 -2.1281 -2.1251 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7648 -1.3785 -3.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5043 -0.8510 -3.8849 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6273 0.0227 -3.0734 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5008 0.5213 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