HMDB0061563 RDKit 3D PS(DiMe(11,5)/DiMe(13,5)) 156157 0 0 0 0 0 0 0 0999 V2000 14.5090 5.1869 -1.7140 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9063 3.8665 -2.2162 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9627 2.9420 -2.6708 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4879 1.6453 -3.1772 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8796 0.6431 -2.3297 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6891 0.8747 -1.5158 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4521 0.6518 -1.9391 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5665 0.9364 -1.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0715 0.8134 -1.1512 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5454 -0.3959 -0.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0405 -0.4520 -0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3862 0.7723 0.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7428 0.8297 1.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1523 2.0091 2.1752 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3975 2.1459 3.6142 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8079 1.3856 4.6796 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6994 -0.0477 4.8521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7496 -0.8420 4.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3412 -0.3283 4.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2684 -1.0389 3.5061 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3220 -1.0073 2.0424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 -0.5026 1.4450 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2997 -1.5277 1.2655 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2372 -1.5565 -0.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1102 -0.5561 -0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0275 -0.9998 0.2520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2129 -0.2340 0.2327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1663 0.7890 -0.4623 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3250 -0.7413 1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4343 0.2264 1.1158 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0763 0.4816 -0.2105 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6946 -0.8206 -0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4079 -0.6844 -2.0110 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4651 0.4011 -1.9335 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4825 0.2141 -0.8793 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3470 -0.9857 -0.9466 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1961 -1.0333 -2.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0606 0.2122 -2.2999 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9465 0.3667 -1.0947 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7167 1.2030 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