B2XOS3
-OEChem-04022107182D
39 41 0 1 0 0 0 0 0999 V2000
2.9176 -4.2867 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
7.2641 1.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 0.2479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 2.7479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 0.2479 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.6870 2.7176 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -3.2521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5891 3.3357 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
5.8981 4.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8981 4.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2071 3.3357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3981 1.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 1.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6380 3.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -0.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6660 -1.2521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -1.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -1.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -1.2175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9061 -3.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5321 -2.7521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.7313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4921 2.7233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9629 4.9033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2916 4.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5045 4.4156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8333 4.9033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5171 2.7987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7735 3.5878 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3200 1.8305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9215 1.1402 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0690 -0.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0690 -1.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9132 -0.5975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0690 -3.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -1.4192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4643 -3.0850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
2 12 2 0 0 0 0
3 15 2 0 0 0 0
4 8 1 0 0 0 0
4 11 1 0 0 0 0
4 12 1 0 0 0 0
5 13 1 0 0 0 0
5 15 1 0 0 0 0
5 34 1 0 0 0 0
6 14 3 0 0 0 0
7 18 2 0 0 0 0
7 22 1 0 0 0 0
8 9 1 0 0 0 0
8 14 1 6 0 0 0
8 25 1 0 0 0 0
9 10 1 0 0 0 0
9 26 1 0 0 0 0
9 27 1 0 0 0 0
10 11 1 0 0 0 0
10 28 1 0 0 0 0
10 29 1 0 0 0 0
11 30 1 0 0 0 0
11 31 1 0 0 0 0
12 13 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
15 16 1 0 0 0 0
16 17 2 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 20 1 0 0 0 0
18 21 1 0 0 0 0
19 22 2 0 0 0 0
19 35 1 0 0 0 0
20 23 2 0 0 0 0
20 36 1 0 0 0 0
21 24 2 0 0 0 0
22 37 1 0 0 0 0
23 24 1 0 0 0 0
23 38 1 0 0 0 0
24 39 1 0 0 0 0
M END
$$$$