BRUP45 -OEChem-04012119002D 48 51 0 0 0 0 0 0 0999 V2000 7.1089 3.1014 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0902 0.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 1.3413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8301 1.3413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4179 2.1503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.1975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5211 0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1391 0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 2.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5700 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7269 3.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6780 3.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9179 3.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4211 2.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8859 4.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3722 3.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8370 4.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -4.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5801 4.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -4.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4657 1.8429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3785 0.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9804 -0.1104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7616 -0.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9179 4.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2922 2.1348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4252 4.8034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8329 2.6354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9659 5.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -4.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1698 4.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -4.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -3.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -3.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.1606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.2345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 16 1 0 0 0 0 2 11 2 0 0 0 0 3 20 1 0 0 0 0 3 28 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 9 1 0 0 0 0 5 30 1 0 0 0 0 6 12 2 0 0 0 0 6 14 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 19 1 0 0 0 0 9 10 2 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 16 34 1 0 0 0 0 17 21 1 0 0 0 0 17 35 1 0 0 0 0 18 22 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 20 24 2 0 0 0 0 21 25 2 0 0 0 0 21 37 1 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 23 26 1 0 0 0 0 23 39 1 0 0 0 0 24 27 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M END $$$$