HMDB0061570 RDKit 3D PS(DiMe(13,5)/DiMe(11,3)) 150151 0 0 0 0 0 0 0 0999 V2000 1.0069 -6.1466 5.2480 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5074 -6.0972 5.3637 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0163 -4.8513 4.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5796 -4.9679 3.2218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0700 -3.7542 2.4432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6234 -3.8678 1.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8114 -4.7871 0.5653 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6105 -4.6154 -0.7147 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7467 -5.4815 -1.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5915 -4.8282 -1.8335 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3209 -4.4468 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6561 -3.8227 -0.9787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3951 -3.3693 0.2727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7216 -2.7676 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4612 -2.2689 1.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6534 -1.1576 1.8822 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2872 -0.5966 3.1022 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5390 -1.4837 4.2417 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4662 -2.1810 4.9440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3888 -1.4393 5.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5769 -0.6502 4.6930 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8271 -1.2768 3.8569 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5047 0.7189 4.5819 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7234 1.4040 3.6594 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2508 1.1852 3.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4030 1.5741 4.9849 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2379 2.8848 5.3458 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0191 3.1921 6.8126 P 0 0 0 0 0 5 0 0 0 0 0 0 1.8452 1.9763 7.1791 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2026 3.4375 7.9822 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9412 4.6001 6.7563 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7084 5.3046 5.5732 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5116 6.5686 5.4805 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1823 7.2014 4.2159 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 6.2225 5.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7829 6.4382 4.6879 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3638 5.6295 6.7721 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2774 1.9683 2.6098 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8495 1.3193 1.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8850 0.0428 1.5882 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4264 2.0062 0.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4467 1.9829 -0.7976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9623 2.5966 -2.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3254 4.0021 -1.8621 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8630 4.8337 -2.9360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1504 5.2375 -4.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6042 4.1515 -5.0288 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0228 4.8040 -6.2416 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6201 4.0249 -7.2780 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0092 3.0377 -8.1463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6357 1.8613 -7.5699 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0284 0.7349 -7.3575 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7363 -0.1771 -6.8340 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3559 -1.5683 -6.4529 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8546 -2.5913 -7.4402 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3228 -2.3778 -8.8344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9912 0.3567 -6.6810 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2128 -0.2901 -6.1256 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9314 1.6472 -7.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0495 2.6396 -7.2264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3304 -3.5241 -1.1127 C 0 0 0 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