HMDB0284893 RDKit 3D PE(LTE4/DiMe(13,5)) 157157 0 0 0 0 0 0 0 0999 V2000 1.3499 -6.6832 3.3535 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6827 -6.4552 4.6530 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2142 -5.2832 4.7929 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3406 -3.9292 4.6247 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9287 -3.5700 3.3021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3778 -2.1593 3.3989 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8918 -1.2106 2.6459 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1701 -1.4411 1.6042 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3212 -0.6416 2.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8594 0.2938 1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3559 0.6315 0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0019 1.5767 -0.6475 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6821 2.0859 -1.9798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4420 3.0167 -2.4847 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2534 3.6290 -3.8103 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5069 3.1607 -4.9739 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.3461 1.6403 -5.8315 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1878 0.3638 -5.1407 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1167 -0.6762 -6.2012 N 0 0 0 0 0 0 0 0 0 0 0 0 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