HMDB0284892 RDKit 3D PE(DiMe(13,5)/LTE4) 157157 0 0 0 0 0 0 0 0999 V2000 -2.8752 -7.6362 -0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3525 -6.1990 -0.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4861 -5.2480 -0.8669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9746 -3.8278 -0.8239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0986 -2.8468 -1.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6552 -3.0777 -2.4826 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6542 -2.1786 -3.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1046 -0.8178 -3.2672 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1648 0.1963 -3.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4652 1.0741 -2.5966 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8560 1.2255 -1.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2790 2.1622 -0.4700 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7490 2.4145 0.8453 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2728 3.3770 1.5894 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8869 3.7825 2.9178 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.1575 2.4487 3.8651 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3098 1.1572 4.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6960 0.1995 3.2351 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7372 -0.6888 3.8086 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5683 -0.7673 2.9453 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8796 -1.9878 2.8083 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2545 -0.4438 2.8308 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3144 -1.5179 2.5848 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.5996 -1.6403 3.9187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6526 -2.6236 4.0556 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8053 -3.9898 3.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9841 -4.3285 3.4866 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1765 -5.0293 4.0649 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3037 -5.1986 3.1361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2300 -4.0248 2.9935 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4051 -4.3600 2.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3291 -3.1766 1.8878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8799 -2.6139 3.1469 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8280 -1.4404 2.9467 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1352 -0.3888 2.1902 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9349 0.9194 1.9651 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0309 1.7265 1.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3187 3.0687 0.6765 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5279 3.4373 -0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8399 2.6045 -1.2496 C 0 0 0 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