B1TR5Z -OEChem-04022106223D 31 33 0 0 0 0 0 0 0999 V2000 0.9329 -1.7709 0.0004 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4770 -0.4953 0.0005 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4597 0.2853 -1.1998 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4599 0.2865 1.1998 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8804 -2.2374 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5885 -2.7296 0.0008 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5168 0.5810 -0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1223 0.6848 -0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4849 0.5771 -2.3454 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4854 0.5793 2.3444 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3740 -0.0115 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7774 0.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8629 0.2002 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7669 -0.9298 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8032 -1.6779 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4318 1.4428 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1247 -0.2276 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7867 0.4756 -1.1223 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7869 0.4767 1.1219 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4299 2.4110 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7480 1.9838 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9428 0.4714 0.8847 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9424 0.4717 -0.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3962 1.7724 0.0006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4657 -1.2589 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1842 3.4668 -0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5636 2.6993 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9762 0.5038 -3.2156 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4852 0.7207 -2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 0.5080 3.2149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4856 0.7239 2.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 15 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 3 13 2 0 0 0 0 3 18 1 0 0 0 0 4 13 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 14 2 0 0 0 0 6 15 2 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 17 1 0 0 0 0 8 21 2 0 0 0 0 9 18 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 19 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 16 20 2 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 20 21 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 M END $$$$