BOWB91
-OEChem-04012112582D
32 34 0 1 0 0 0 0 0999 V2000
7.1279 -2.0622 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0622 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.0622 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.2686 0.5031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6146 -0.5888 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.6183 1.5868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5726 2.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 -1.2575 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 -2.8670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8550 -0.3070 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8066 0.0004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
6.8083 1.0004 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
5.8578 1.3110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.5504 2.2626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 -2.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.5622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2926 -0.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3595 0.2809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7124 1.6129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2456 1.4091 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1645 2.3479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5731 2.8822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1814 -0.3376 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5546 2.2035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.4422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.6822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3820 3.0622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 1 0 0 0 0
2 20 1 0 0 0 0
3 21 1 0 0 0 0
4 10 1 0 0 0 0
4 13 1 0 0 0 0
11 5 1 6 0 0 0
5 28 1 0 0 0 0
12 6 1 6 0 0 0
6 29 1 0 0 0 0
7 14 1 0 0 0 0
7 32 1 0 0 0 0
10 8 1 1 0 0 0
8 15 1 0 0 0 0
8 16 1 0 0 0 0
9 16 2 0 0 0 0
9 17 1 0 0 0 0
10 11 1 0 0 0 0
10 22 1 0 0 0 0
11 12 1 0 0 0 0
11 23 1 0 0 0 0
12 13 1 0 0 0 0
12 24 1 0 0 0 0
13 14 1 6 0 0 0
13 25 1 0 0 0 0
14 26 1 0 0 0 0
14 27 1 0 0 0 0
15 17 1 0 0 0 0
15 18 2 0 0 0 0
17 19 2 0 0 0 0
18 20 1 0 0 0 0
18 30 1 0 0 0 0
19 21 1 0 0 0 0
19 31 1 0 0 0 0
20 21 2 0 0 0 0
M END
$$$$