HMDB0284891 RDKit 3D PE(PGJ2/DiMe(13,5)) 144145 0 0 0 0 0 0 0 0999 V2000 -15.3909 1.0158 -4.5639 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0037 1.8193 -3.3711 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.6880 1.3193 -2.7475 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8807 -0.1094 -2.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6887 -0.7391 -1.6835 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2831 0.0175 -0.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2445 0.7968 -0.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2548 1.2561 0.9560 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2895 2.1633 1.5993 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3746 1.5064 2.5527 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4142 0.5010 2.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3534 1.0527 1.1059 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4467 -0.0873 0.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2299 0.3210 -0.0589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4441 1.3623 0.7697 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0917 0.8072 2.0903 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1121 -0.3642 2.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1425 -0.8545 3.5118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2761 -1.9073 4.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1758 -3.2022 3.2482 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3370 -2.8943 1.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6670 -3.1748 0.8612 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1551 -2.2725 2.2548 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -1.8442 1.5073 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1516 -2.4946 2.1150 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3258 -2.0996 1.6627 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0573 -2.0295 0.5219 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5500 -2.4361 -0.5228 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4585 -1.4660 0.5745 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5055 -2.4745 0.2514 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4835 -2.9701 -1.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5118 -4.0252 -1.3586 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5208 -3.9257 -2.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8602 -2.7986 -3.0054 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2515 -2.2367 -2.6694 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2272 -3.3166 -2.8606 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2174 -2.9270 -3.6206 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0358 -1.5505 -4.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9344 -0.8718 -4.5986 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6625 -1.1751 -3.6717 C 0 0 2 0 0 0 0 0 0 0 0 0 10.5036 0.1421 -3.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4613 1.0753 -2.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1113 2.3473 -2.2175 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6977 2.4241 -2.0243 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7584 2.6507 -0.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2028 2.8202 -0.8282 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0934 1.6747 -1.1359 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7302 0.4929 -0.2546 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6372 -0.6944 -0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0523 -0.3393 1.4117 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2110 0.3042 2.6071 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3431 1.9688 2.2476 P 0 0 0 0 0 5 0 0 0 0 0 0 0.6374 2.2634 0.9303 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7579 2.9239 3.4908 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9965 2.2655 2.0301 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1859 3.3768 1.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6575 3.6642 1.0053 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3536 2.5769 0.3861 N 0 0 0 0 0 0 0 0 0 0 0 0 -12.3825 0.7517 1.6375 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7526 1.0478 3.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0223 -0.0401 0.7142 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2845 -0.7799 1.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9218 0.0818 -4.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.1455 1.5710 -5.1536 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5090 0.7568 -5.1714 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7472 1.7208 -2.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9000 2.8989 -3.5260 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5017 1.9973 -1.8940 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8878 1.4429 -3.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.7846 -0.2156 -1.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1164 -0.6926 -3.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8320 -0.6238 -2.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8765 -1.7964 -1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9068 2.9132 2.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7155 2.7564 0.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7573 2.3486 3.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9334 1.1063 3.4306 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8711 -0.3955 1.6036 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8290 0.1265 2.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9491 1.3298 0.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 5.6569 -1.0658 1.5903 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3601 -3.3725 0.9287 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4893 -2.0088 0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5939 -2.1770 -1.9024 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4699 -3.4265 -1.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3713 -4.9689 -0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2001 -4.8009 -2.1929 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1718 -1.9605 -3.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8829 -3.1817 -4.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2587 -1.8186 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1046 -4.3116 -2.3989 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0517 -3.5730 -3.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0001 -1.2491 -4.5927 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5014 0.4234 -2.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4309 0.7849 -3.2121 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3859 3.1682 -2.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3382 2.7416 -2.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4494 1.8808 -0.1380 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2904 3.6244 -0.5403 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5314 3.6985 -1.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 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