HMDB0061572 RDKit 3D PS(DiMe(13,5)/DiMe(13,5)) 162163 0 0 0 0 0 0 0 0999 V2000 1.3886 -1.1135 7.7264 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2788 -1.5523 6.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5538 -2.2007 5.7873 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3078 -2.5988 4.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5097 -3.2514 3.7360 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2269 -3.6375 2.3367 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6326 -3.0606 1.2544 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2229 -3.6417 0.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5430 -3.1959 -1.1983 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4297 -2.5002 -1.9143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8562 -2.0654 -3.2980 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8647 -1.3643 -4.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 -2.1126 -4.4606 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2375 -1.2118 -5.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5443 -1.8461 -5.7742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2281 -0.8246 -6.6508 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5564 -1.2326 -7.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5565 -1.5484 -6.0916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7531 -0.3692 -5.1760 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7498 -0.7632 -4.0985 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9343 0.3366 -3.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3826 1.4275 -3.3172 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7201 0.1416 -2.0021 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8752 1.2031 -1.0459 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7543 0.5934 0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7557 1.6982 1.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4609 1.8566 1.6329 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1845 3.0060 2.8060 P 0 0 0 0 0 5 0 0 0 0 0 0 -5.3150 2.4553 3.9424 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5571 3.6517 3.5011 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2427 4.2559 2.1030 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0155 5.3804 1.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2338 6.4877 1.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8020 6.0142 -0.0873 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1921 7.6021 1.0395 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5640 7.9249 -0.1203 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6688 8.2764 2.1503 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2917 -0.4854 0.5554 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9850 -1.6335 0.9937 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9134 -2.5257 0.9029 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6876 -2.0974 1.6011 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7132 -2.1179 0.4673 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2927 -2.4937 0.8676 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4950 -2.4406 -0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0367 -2.7099 -0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4480 -1.6784 0.7167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6653 -0.2813 0.2683 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1457 0.7982 1.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3541 0.7945 1.3644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7482 1.9117 2.2784 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1849 2.0922 2.5632 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0236 2.3770 1.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4248 2.6245 1.8075 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0001 3.8019 1.9293 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2223 3.7075 2.3849 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1296 4.8408 2.6339 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1803 5.0586 1.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6159 5.3179 0.2112 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7414 5.5502 -0.7777 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1659 5.7913 -2.1511 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5145 2.3615 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