BGE0F8
-OEChem-04012113272D
39 41 0 1 0 0 0 0 0999 V2000
2.7166 2.9164 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.1769 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.7166 0.9164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 0.9164 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
7.0468 -1.5836 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.9164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 2.4164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9644 -2.9164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.5836 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9128 -0.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9128 0.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 1.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.0836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 1.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 2.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 2.4164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -1.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 -1.7860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.9200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2213 -2.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 -0.8936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1249 -0.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5234 0.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5702 0.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9687 -0.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5234 0.8087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1249 1.4990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4453 1.8913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6482 1.8913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5837 -1.8936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5098 -1.8936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6608 -0.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0593 0.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 3.5364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2478 -2.3524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 -0.8552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
2 17 1 0 0 0 0
2 22 1 0 0 0 0
3 16 2 0 0 0 0
4 11 1 0 0 0 0
4 13 1 0 0 0 0
4 14 1 0 0 0 0
9 5 1 1 0 0 0
5 33 1 0 0 0 0
5 34 1 0 0 0 0
6 14 1 0 0 0 0
6 15 1 0 0 0 0
6 16 1 0 0 0 0
7 14 2 0 0 0 0
7 18 1 0 0 0 0
8 23 3 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 24 1 0 0 0 0
10 12 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0
11 27 1 0 0 0 0
11 28 1 0 0 0 0
12 13 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
15 17 1 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
16 19 1 0 0 0 0
17 20 2 0 0 0 0
18 19 2 0 0 0 0
18 37 1 0 0 0 0
20 21 1 0 0 0 0
20 23 1 0 0 0 0
21 22 2 0 0 0 0
21 38 1 0 0 0 0
22 39 1 0 0 0 0
M END
$$$$