B9URB3 -OEChem-04012115582D 31 32 0 0 0 0 0 0 0999 V2000 5.5686 3.8415 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9535 4.9630 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.8470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.1530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.8470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3470 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.1834 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3776 2.4403 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.8470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 4.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.4630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.3839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.6899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.1570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.6570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6634 3.1186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.9630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 20 1 0 0 0 0 2 20 2 0 0 0 0 3 16 1 0 0 0 0 3 31 1 0 0 0 0 4 19 2 0 0 0 0 5 6 1 0 0 0 0 5 11 2 0 0 0 0 6 19 1 0 0 0 0 6 28 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 20 1 0 0 0 0 8 30 1 0 0 0 0 9 18 2 0 0 0 0 10 11 1 0 0 0 0 10 12 2 0 0 0 0 10 13 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 21 1 0 0 0 0 13 15 2 0 0 0 0 13 22 1 0 0 0 0 14 16 2 0 0 0 0 14 23 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 M END $$$$