HMDB0061620 RDKit 3D PS(MonoMe(13,5)/MonoMe(11,3)) 144145 0 0 0 0 0 0 0 0999 V2000 -18.5137 2.5659 0.0998 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4533 1.1602 -0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1181 1.0280 -1.1544 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9577 1.1832 -0.1580 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7132 1.0486 -0.9646 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5018 1.1576 -0.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8537 0.0878 0.4612 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7789 0.6410 1.1432 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8209 -0.1286 1.9916 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8432 1.9889 0.9279 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9151 3.0294 1.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2073 3.7648 0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4040 3.2077 -0.6884 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1551 2.4503 -0.5302 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3096 1.2096 0.2540 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0249 0.3782 0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6305 -0.0722 -1.0638 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3834 -0.8801 -1.1578 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1642 -0.1515 -0.6689 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9613 -0.9998 -0.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9428 -2.3033 -0.1172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6025 -3.0012 -0.4632 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5442 -2.0357 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2564 -2.0274 1.1895 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0968 -1.1895 -0.8546 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0656 -0.2596 -0.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4557 -0.5908 -0.3412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7942 -1.0134 1.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6034 -2.3706 1.2339 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0085 -2.7650 2.8446 P 0 0 0 0 0 5 0 0 0 0 0 0 1.7739 -2.6362 3.7026 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2222 -1.6969 3.4024 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -4.3444 2.8726 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0457 -5.1286 1.8463 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5895 -6.5363 1.9092 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0248 -6.5731 1.7744 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0010 -7.3872 0.8512 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7132 -8.0088 0.0221 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6322 -7.5084 0.7649 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1748 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