HMDB0061594 RDKit 3D PS(DiMe(9,5)/MonoMe(11,5)) 141142 0 0 0 0 0 0 0 0999 V2000 16.3228 -0.7490 1.1099 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6406 -0.6764 -0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5897 -0.2575 -1.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3819 -1.0921 -1.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4174 -1.1121 -0.2495 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7235 0.2267 -0.0886 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0685 1.2637 0.6887 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1028 2.2537 0.4725 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0633 3.5714 1.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1973 1.7292 -0.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0078 2.4361 -0.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8636 2.6350 -0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1023 1.5073 0.4561 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7712 0.5204 1.3089 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9055 -0.5843 1.8667 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8628 0.0007 2.7505 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9653 -1.0416 3.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1877 -1.8443 2.3994 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2234 -1.0141 1.5722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2058 -0.3228 2.4353 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2897 0.4514 1.5650 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4963 1.6495 1.3402 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2098 -0.1847 1.0176 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2578 0.4560 0.1874 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0756 0.1751 0.8024 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1895 0.6880 0.1755 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5123 1.9839 -0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6845 2.8683 0.2682 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7660 2.4083 -0.7715 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7178 1.2377 -0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0896 0.7347 0.5036 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0322 -0.4511 0.4622 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3684 -0.9575 1.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0467 -0.0047 2.7334 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3949 0.4831 2.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3482 -0.6660 2.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6896 -0.2083 1.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7699 -0.1515 2.3294 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.8101 0.2998 1.6085 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1626 0.4612 2.1923 C 0 0 0 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