BRA05V
-OEChem-04022106542D
43 46 0 1 0 0 0 0 0999 V2000
2.5924 -3.4303 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.4303 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.4303 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.9303 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.6181 -2.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3354 -3.1750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.5697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2731 -1.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9641 -2.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9641 -2.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6551 -1.1575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9915 -1.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2885 -0.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6491 -2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9688 -1.4822 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
7.6696 -2.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2791 -2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6397 -0.9252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2586 -2.6846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2742 -0.5300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9367 -1.6939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6408 -2.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.4303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4733 -0.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4507 -3.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5522 -1.0231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.0827 -3.1469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4775 -3.4807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4549 -0.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8645 -0.7193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4635 0.0604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6838 -0.3407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3308 -1.5627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 2.2403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.1897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.0348 -2.4703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
2 27 1 0 0 0 0
3 29 1 0 0 0 0
4 19 2 0 0 0 0
5 24 1 0 0 0 0
5 43 1 0 0 0 0
6 24 2 0 0 0 0
7 8 1 0 0 0 0
7 11 1 0 0 0 0
7 19 1 0 0 0 0
8 9 2 0 0 0 0
8 13 1 0 0 0 0
9 10 1 0 0 0 0
9 14 1 0 0 0 0
10 11 2 0 0 0 0
10 17 1 0 0 0 0
11 18 1 0 0 0 0
12 13 2 0 0 0 0
12 15 1 0 0 0 0
12 16 1 0 0 0 0
13 30 1 0 0 0 0
14 16 2 0 0 0 0
14 31 1 0 0 0 0
15 21 1 0 0 0 0
15 24 1 0 0 0 0
15 32 1 0 0 0 0
16 33 1 0 0 0 0
17 20 2 0 0 0 0
17 34 1 0 0 0 0
18 22 2 0 0 0 0
18 35 1 0 0 0 0
19 23 1 0 0 0 0
20 22 1 0 0 0 0
21 36 1 0 0 0 0
21 37 1 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
23 25 2 0 0 0 0
23 26 1 0 0 0 0
25 27 1 0 0 0 0
25 40 1 0 0 0 0
26 28 2 0 0 0 0
26 41 1 0 0 0 0
27 29 2 0 0 0 0
28 29 1 0 0 0 0
28 42 1 0 0 0 0
M END
$$$$