BR20BD
-OEChem-04012116172D
55 56 0 0 0 0 0 0 0999 V2000
4.5981 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -5.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 5.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 6.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 6.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9407 -4.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5422 -3.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 -3.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 -4.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 -5.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 -5.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0747 -2.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6762 -2.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5762 -6.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -7.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8162 -6.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3722 -5.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7522 -4.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 -1.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 6.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 7.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 9 1 0 0 0 0
1 12 1 0 0 0 0
2 13 1 0 0 0 0
2 20 1 0 0 0 0
3 21 2 0 0 0 0
4 8 1 0 0 0 0
4 10 1 0 0 0 0
4 11 1 0 0 0 0
5 21 1 0 0 0 0
5 22 1 0 0 0 0
5 50 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 28 1 0 0 0 0
6 29 1 0 0 0 0
7 9 1 0 0 0 0
7 30 1 0 0 0 0
7 31 1 0 0 0 0
8 32 1 0 0 0 0
8 33 1 0 0 0 0
9 34 1 0 0 0 0
9 35 1 0 0 0 0
10 36 1 0 0 0 0
10 37 1 0 0 0 0
10 38 1 0 0 0 0
11 39 1 0 0 0 0
11 40 1 0 0 0 0
11 41 1 0 0 0 0
12 13 2 0 0 0 0
12 14 1 0 0 0 0
13 16 1 0 0 0 0
14 17 2 0 0 0 0
14 42 1 0 0 0 0
15 16 2 0 0 0 0
15 17 1 0 0 0 0
15 18 1 0 0 0 0
16 43 1 0 0 0 0
17 44 1 0 0 0 0
18 19 2 0 0 0 0
18 45 1 0 0 0 0
19 21 1 0 0 0 0
19 46 1 0 0 0 0
20 47 1 0 0 0 0
20 48 1 0 0 0 0
20 49 1 0 0 0 0
22 23 2 0 0 0 0
22 24 1 0 0 0 0
23 25 1 0 0 0 0
23 51 1 0 0 0 0
24 26 2 0 0 0 0
24 52 1 0 0 0 0
25 27 2 0 0 0 0
25 53 1 0 0 0 0
26 27 1 0 0 0 0
26 54 1 0 0 0 0
27 55 1 0 0 0 0
M END
$$$$