HMDB0061553 RDKit 3D PS(DiMe(11,3)/DiMe(11,5)) 144145 0 0 0 0 0 0 0 0999 V2000 17.4585 0.0179 0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6564 -1.4741 0.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5586 -2.1957 1.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1969 -1.8883 0.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0997 -2.6202 1.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7970 -2.2782 0.5514 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8954 -1.4832 1.0112 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8410 -1.3993 0.1985 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6537 -0.5424 0.5209 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5901 -1.2981 1.2401 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8523 -2.3537 0.5471 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7373 -2.1560 -0.3587 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6655 -1.2077 -1.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 0.2395 -1.1747 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3339 0.6824 -0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9642 0.4617 -0.8648 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4597 -0.9309 -1.0270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0001 -0.9157 -1.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1578 -0.1994 -0.5458 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9158 -0.6954 0.6009 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5905 1.0379 -0.8120 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2145 1.7826 0.0435 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5628 2.1000 -0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3611 1.0014 -0.8241 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6437 1.1998 -1.3747 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9548 2.4011 -1.5362 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5145 0.0789 -1.7203 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8394 0.5256 -2.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6056 1.2702 -1.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9576 1.7232 -1.6895 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7569 2.3561 -0.6364 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4882 1.6029 0.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0260 0.5359 1.2354 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7342 -0.8104 0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9876 -1.4107 0.0179 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0540 -1.5283 1.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3076 -2.1270 0.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6487 -3.3732 0.6854 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7908 -3.6216 0.0659 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4319 -4.9597 0.1250 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5295 -5.0075 1.1499 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6550 -4.0583 0.9402 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1898 -2.4835 -0.5633 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4041 -2.3164 -1.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2507 -1.5077 -0.3130 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2442 -0.0799 -0.7877 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4346 3.0811 0.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7171 3.8901 -0.6217 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4333 5.3450 -0.1256 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9083 5.2001 0.1071 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0741 6.5186 -1.2852 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7290 5.8411 1.3341 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4827 6.4507 1.0948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0684 6.8696 2.4483 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2214 5.6538 3.2132 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 7.8434 3.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0400 8.9426 2.5694 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3966 7.5537 4.3256 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0717 -2.1963 -0.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2908 -2.4550 -2.1054 C 0 0 0 0 0 0 0 0 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