BIE85J
-OEChem-04012115442D
39 40 0 0 0 0 0 0 0999 V2000
4.6795 0.0000 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0
4.6795 2.5434 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0
4.0678 6.2414 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
5.7998 6.2414 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0
4.9338 5.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3358 6.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5319 6.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2018 5.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6659 5.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3358 7.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5319 7.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0678 7.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7998 7.2414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2018 7.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6659 7.7414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4418 5.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4258 5.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4418 7.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4258 7.7760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5357 6.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3319 6.2205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5357 7.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3319 7.2622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5353 5.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3324 5.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2018 5.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6659 5.1213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6047 7.5514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2629 7.5514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2018 8.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6659 8.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4490 5.0867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4187 5.0867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4490 8.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4187 8.3960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 5.9085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8676 5.9085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 7.5742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8676 7.5742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3 5 1 0 0 0 0
3 8 2 0 0 0 0
3 12 1 0 0 0 0
4 5 1 0 0 0 0
4 9 2 0 0 0 0
4 13 1 0 0 0 0
5 24 1 0 0 0 0
5 25 1 0 0 0 0
6 8 1 0 0 0 0
6 10 1 0 0 0 0
6 16 2 0 0 0 0
7 9 1 0 0 0 0
7 11 1 0 0 0 0
7 17 2 0 0 0 0
8 26 1 0 0 0 0
9 27 1 0 0 0 0
10 14 1 0 0 0 0
10 18 2 0 0 0 0
11 15 1 0 0 0 0
11 19 2 0 0 0 0
12 14 2 0 0 0 0
12 28 1 0 0 0 0
13 15 2 0 0 0 0
13 29 1 0 0 0 0
14 30 1 0 0 0 0
15 31 1 0 0 0 0
16 20 1 0 0 0 0
16 32 1 0 0 0 0
17 21 1 0 0 0 0
17 33 1 0 0 0 0
18 22 1 0 0 0 0
18 34 1 0 0 0 0
19 23 1 0 0 0 0
19 35 1 0 0 0 0
20 22 2 0 0 0 0
20 36 1 0 0 0 0
21 23 2 0 0 0 0
21 37 1 0 0 0 0
22 38 1 0 0 0 0
23 39 1 0 0 0 0
M CHG 4 1 -1 2 -1 3 1 4 1
M END
$$$$