HMDB0284684 RDKit 3D PE(DiMe(11,3)/LTE4) 145145 0 0 0 0 0 0 0 0999 V2000 -11.6667 6.3453 2.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8097 4.8678 2.0816 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0841 4.8422 0.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1171 3.5618 -0.0671 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0179 2.4476 0.3481 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7408 1.8135 1.6243 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4218 0.5640 1.8000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2430 -0.5540 0.9132 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4763 -0.4713 -0.5115 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5421 -0.6221 -1.4193 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1624 -0.8893 -1.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2477 -1.0477 -2.0408 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8892 -1.3098 -1.7549 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8818 -1.5047 -2.5117 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5326 -1.7612 -2.0305 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.9117 -0.2455 -1.1708 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5752 1.0655 -2.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3281 0.8814 -3.1527 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3074 -0.2957 -3.9554 N 0 0 0 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