BRCE01
-OEChem-04022109532D
35 37 0 0 0 0 0 0 0999 V2000
4.6660 -2.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 2.0173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -2.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 0.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 -0.9827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -0.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9962 0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.3627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.9350 -1.2927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -0.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -1.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -2.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7272 1.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 -0.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1301 2.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5331 0.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4822 3.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8622 3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2422 3.0173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 8 1 0 0 0 0
1 12 1 0 0 0 0
2 19 1 0 0 0 0
2 22 1 0 0 0 0
3 12 2 0 0 0 0
4 14 2 0 0 0 0
5 7 1 0 0 0 0
5 14 1 0 0 0 0
5 24 1 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 11 2 0 0 0 0
7 9 2 0 0 0 0
7 12 1 0 0 0 0
8 13 2 0 0 0 0
9 23 1 0 0 0 0
10 14 1 0 0 0 0
10 17 2 0 0 0 0
10 18 1 0 0 0 0
11 15 1 0 0 0 0
11 25 1 0 0 0 0
13 16 1 0 0 0 0
13 26 1 0 0 0 0
15 16 2 0 0 0 0
15 27 1 0 0 0 0
16 28 1 0 0 0 0
17 20 1 0 0 0 0
17 29 1 0 0 0 0
18 21 2 0 0 0 0
18 30 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 31 1 0 0 0 0
21 32 1 0 0 0 0
22 33 1 0 0 0 0
22 34 1 0 0 0 0
22 35 1 0 0 0 0
M END
$$$$