BR8UP2
-OEChem-04022109132D
42 43 0 1 0 0 0 0 0999 V2000
2.0000 -0.5950 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -5.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -3.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 3.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.5950 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7320 -2.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -4.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 3.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 5.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -0.7850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5560 -3.5581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -4.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1760 -4.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 0.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 3.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -5.4050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1181 5.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7196 4.7973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5062 4.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 5.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8862 5.9419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
2 19 1 0 0 0 0
2 22 1 0 0 0 0
3 16 1 0 0 0 0
3 36 1 0 0 0 0
4 16 2 0 0 0 0
5 22 2 0 0 0 0
6 22 1 0 0 0 0
6 23 1 0 0 0 0
6 39 1 0 0 0 0
7 8 1 0 0 0 0
7 15 1 0 0 0 0
7 16 1 0 0 0 0
7 25 1 0 0 0 0
8 10 2 0 0 0 0
8 11 1 0 0 0 0
9 12 1 0 0 0 0
9 13 2 0 0 0 0
9 14 1 0 0 0 0
10 13 1 0 0 0 0
10 26 1 0 0 0 0
11 14 2 0 0 0 0
11 27 1 0 0 0 0
12 17 2 0 0 0 0
12 18 1 0 0 0 0
14 28 1 0 0 0 0
15 29 1 0 0 0 0
15 30 1 0 0 0 0
15 31 1 0 0 0 0
17 19 1 0 0 0 0
17 32 1 0 0 0 0
18 20 2 0 0 0 0
18 33 1 0 0 0 0
19 21 2 0 0 0 0
20 21 1 0 0 0 0
20 34 1 0 0 0 0
21 35 1 0 0 0 0
23 24 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
24 40 1 0 0 0 0
24 41 1 0 0 0 0
24 42 1 0 0 0 0
M END
$$$$