B9FUR8 -OEChem-04022102142D 45 47 0 1 0 0 0 0 0999 V2000 7.0820 2.4735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7195 -1.1319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.7470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4997 3.1780 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 0.5894 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7108 4.7470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 1.4554 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.7026 1.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2530 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8087 4.1290 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4997 3.1780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0875 2.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9997 4.7168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1907 4.1290 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 -0.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7598 4.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -4.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.7470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2999 1.4878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6378 1.8641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0826 1.2475 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0781 0.5906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2471 3.6906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8932 3.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5645 2.5614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4146 5.1775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5848 5.1775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8807 4.6659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6243 3.8768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 0.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.3356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.3547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -2.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.5570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.3670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 16 2 0 0 0 0 3 18 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 37 1 0 0 0 0 6 18 1 0 0 0 0 6 20 1 0 0 0 0 6 40 1 0 0 0 0 7 19 3 0 0 0 0 8 9 1 0 0 0 0 8 13 1 1 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 6 0 0 0 10 29 1 0 0 0 0 11 14 1 0 0 0 0 11 19 1 1 0 0 0 11 30 1 0 0 0 0 12 15 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 24 2 0 0 0 0 22 42 1 0 0 0 0 23 25 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 M END $$$$