HMDB0061535 RDKit 3D PE(MonoMe(13,5)/DiMe(11,5)) 150151 0 0 0 0 0 0 0 0999 V2000 -16.2608 1.1443 3.4415 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9807 0.8163 2.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2478 0.5180 1.2504 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1691 -0.6361 1.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6437 -1.9336 1.6150 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3541 -2.3097 0.9785 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2897 -3.0826 -0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9797 -3.2411 -0.4982 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4154 -3.9865 -1.6416 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2672 -2.5681 0.4728 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7641 -2.5071 0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3746 -1.4363 -0.5743 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9737 -0.1668 -0.0934 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8238 1.0543 -0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5473 1.6915 -1.1812 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6537 2.1690 -0.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9537 1.2183 0.7691 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9660 0.3276 0.0165 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9585 1.2739 -0.6211 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9080 0.5423 -1.4394 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0293 1.6101 -2.0382 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3048 2.4007 -1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3278 1.5458 -0.2769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6953 2.0537 0.7012 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 0.2486 -0.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1460 -0.6234 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2424 -0.0469 -0.2068 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4573 0.2298 -1.6903 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5556 0.9799 -2.2589 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1588 1.1857 -3.9046 P 0 0 0 0 0 5 0 0 0 0 0 0 -1.4117 1.2027 -4.7528 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8766 -0.0699 -4.3637 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6284 2.6519 -4.0845 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6413 2.5036 -5.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3215 3.8522 -5.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8515 4.1984 -3.8402 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2828 -0.8045 0.3178 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1561 -0.3811 1.3076 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9927 0.7558 1.7846 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2728 -1.3107 1.7626 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5383 -0.8342 1.0821 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7530 -1.6937 1.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1122 -1.7603 2.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4795 -0.5331 3.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7001 0.2359 3.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3093 0.6923 2.1352 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0447 -0.3968 1.4185 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5829 0.0130 0.1009 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6069 1.0721 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9060 0.7641 0.6215 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8922 0.2449 -0.1133 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9517 0.0407 0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2869 -0.5360 0.1602 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3710 -1.9568 0.6003 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6388 -2.6403 0.2792 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9958 -2.7405 -1.1601 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2854 -1.4577 -1.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6845 0.4349 1.8956 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6003 0.3856 3.0690 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3659 0.8998 1.8888 C 0 0 0 0 0 0 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