HMDB0061571 RDKit 3D PS(DiMe(13,5)/DiMe(11,5)) 156157 0 0 0 0 0 0 0 0999 V2000 -7.4589 -6.0394 -3.7750 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3367 -5.1248 -2.9872 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7183 -3.8673 -3.7432 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5096 -3.0380 -4.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7301 -2.5954 -2.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5345 -1.7904 -3.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3448 -0.5083 -3.0877 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1836 -0.1060 -3.4216 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4679 1.2145 -3.4556 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4691 1.3327 -2.3859 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9112 1.4753 -0.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 0.4967 -0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2244 0.3332 0.9411 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6224 1.4845 1.7798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4797 2.4050 2.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8239 3.5851 2.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5192 4.3389 3.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8950 4.9559 2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5329 5.4678 2.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3501 6.5317 3.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1627 6.7769 3.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6524 7.7994 3.8577 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9658 5.7862 2.9833 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3437 5.6055 2.8884 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4198 4.1690 2.3071 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7941 3.3117 3.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6254 2.0182 2.9203 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9027 1.1285 4.1935 P 0 0 0 0 0 5 0 0 0 0 0 0 2.9120 0.9316 5.3125 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3607 -0.3301 3.5563 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5143 1.9493 4.7749 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0478 1.2036 5.8731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1703 1.8979 6.4121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7187 1.1779 7.5547 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7809 3.2805 6.8040 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2499 4.0504 5.9766 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0156 3.7029 8.0979 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6604 3.7060 1.9836 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9895 3.5403 0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 3.9181 -0.1471 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1996 3.0380 0.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2972 1.6764 -0.5421 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2810 1.3519 -1.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9636 1.0394 -0.9922 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8175 0.9990 -1.9429 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5638 0.6192 -1.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2148 -0.6986 -0.8514 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9316 -1.5917 0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0987 -2.8666 0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7621 -3.6700 -0.9308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7699 -4.3601 -1.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0047 -5.6776 -1.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9233 -6.0961 -2.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4732 -7.4649 -2.6073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3461 -8.3699 -1.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0568 -7.8959 -0.1924 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5452 -7.7332 -0.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1936 -9.0166 -0.8752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3796 -5.0196 -3.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4276 -4.9666 -4.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6348 -3.9207 -2.6832 C 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