BR3JF7
-OEChem-04022100122D
36 38 0 0 0 0 0 0 0999 V2000
3.0000 -2.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0000 -2.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 3.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8660 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1340 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4641 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 0.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.4030 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3800 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 -4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6200 -3.5000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1951 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 2.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5970 3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5981 -0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0010 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0000 4.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0010 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0 0 0 0
1 3 2 0 0 0 0
1 7 1 0 0 0 0
1 15 1 0 0 0 0
4 8 2 0 0 0 0
4 18 1 0 0 0 0
5 13 2 0 0 0 0
5 21 1 0 0 0 0
6 8 1 0 0 0 0
6 9 2 0 0 0 0
6 10 1 0 0 0 0
7 11 2 0 0 0 0
7 12 1 0 0 0 0
8 13 1 0 0 0 0
9 11 1 0 0 0 0
9 23 1 0 0 0 0
10 12 2 0 0 0 0
10 24 1 0 0 0 0
11 25 1 0 0 0 0
12 26 1 0 0 0 0
13 14 1 0 0 0 0
14 16 2 0 0 0 0
14 17 1 0 0 0 0
15 27 1 0 0 0 0
15 28 1 0 0 0 0
15 29 1 0 0 0 0
16 19 1 0 0 0 0
16 30 1 0 0 0 0
17 20 2 0 0 0 0
17 31 1 0 0 0 0
18 21 2 0 0 0 0
18 32 1 0 0 0 0
19 22 2 0 0 0 0
19 33 1 0 0 0 0
20 22 1 0 0 0 0
20 34 1 0 0 0 0
21 35 1 0 0 0 0
22 36 1 0 0 0 0
M END
$$$$