BR8X2O
-OEChem-04012118452D
40 42 0 0 0 0 0 0 0999 V2000
6.2619 2.0042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 3.7594 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 1.1994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9674 0.0427 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9889 0.2489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2781 -0.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6103 -1.6521 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5673 -2.0646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2566 -1.1141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8994 -2.8089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9209 -2.6027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6318 -1.4459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5458 -2.2708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.5042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2101 -3.7594 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3751 0.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9684 -0.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3815 0.5041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6707 -0.6526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5069 -3.0641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.3842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 3.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7596 -0.8393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0251 -1.3181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5039 -2.0526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4179 -2.8775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1524 -2.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6736 -1.6641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 2.8142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6208 -3.9520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4027 -4.3487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7994 -3.5668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 2 0 0 0 0
2 12 2 0 0 0 0
3 5 1 0 0 0 0
3 6 1 0 0 0 0
3 10 1 0 0 0 0
4 5 1 0 0 0 0
4 7 1 0 0 0 0
4 25 1 0 0 0 0
5 23 1 0 0 0 0
5 24 1 0 0 0 0
6 8 1 0 0 0 0
6 16 2 0 0 0 0
7 9 2 0 0 0 0
7 13 1 0 0 0 0
8 12 1 0 0 0 0
8 17 2 0 0 0 0
9 15 1 0 0 0 0
9 18 1 0 0 0 0
10 12 1 0 0 0 0
11 13 2 0 0 0 0
11 14 1 0 0 0 0
11 20 1 0 0 0 0
13 26 1 0 0 0 0
14 15 2 0 0 0 0
14 22 1 0 0 0 0
15 27 1 0 0 0 0
16 19 1 0 0 0 0
16 28 1 0 0 0 0
17 21 1 0 0 0 0
17 29 1 0 0 0 0
18 30 1 0 0 0 0
18 31 1 0 0 0 0
18 32 1 0 0 0 0
19 21 2 0 0 0 0
19 33 1 0 0 0 0
20 34 1 0 0 0 0
20 35 1 0 0 0 0
20 36 1 0 0 0 0
21 37 1 0 0 0 0
22 38 1 0 0 0 0
22 39 1 0 0 0 0
22 40 1 0 0 0 0
M END
$$$$