BS45NE -OEChem-04012114562D 35 37 0 0 0 0 0 0 0999 V2000 9.3600 0.3131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 -1.4190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -1.3577 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.2518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -0.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.9470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 0.3131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8600 1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 0.8411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4690 -1.9470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.1730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -1.3630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6730 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2523 -0.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9426 0.1010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3969 0.8691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1700 1.7160 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3230 1.4891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 19 1 0 0 0 0 2 13 2 0 0 0 0 3 5 1 0 0 0 0 3 9 1 0 0 0 0 3 23 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 10 1 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 21 1 0 0 0 0 8 9 2 0 0 0 0 8 22 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 14 26 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 20 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 M END $$$$