BD8F6A
-OEChem-04012115552D
45 48 0 0 0 0 0 0 0999 V2000
12.7619 1.7320 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
12.7619 -1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7619 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 1.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.0613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2619 2.5981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7619 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2619 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8709 2.2601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5719 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.5719 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9519 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9519 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.4519 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9519 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9519 1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.0719 -0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.7249 -2.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.9519 -3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
12.7988 -2.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 24 1 0 0 0 0
2 23 1 0 0 0 0
2 29 1 0 0 0 0
3 25 1 0 0 0 0
3 42 1 0 0 0 0
4 9 1 0 0 0 0
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4 30 1 0 0 0 0
5 11 2 0 0 0 0
5 12 1 0 0 0 0
6 28 3 0 0 0 0
7 8 1 0 0 0 0
7 13 2 0 0 0 0
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8 19 2 0 0 0 0
8 20 1 0 0 0 0
9 12 1 0 0 0 0
9 21 2 0 0 0 0
10 16 2 0 0 0 0
10 17 1 0 0 0 0
10 18 1 0 0 0 0
11 15 1 0 0 0 0
12 22 2 0 0 0 0
13 16 1 0 0 0 0
13 31 1 0 0 0 0
14 17 2 0 0 0 0
14 32 1 0 0 0 0
15 18 2 0 0 0 0
15 28 1 0 0 0 0
16 33 1 0 0 0 0
17 34 1 0 0 0 0
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20 24 2 0 0 0 0
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21 38 1 0 0 0 0
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22 39 1 0 0 0 0
23 25 2 0 0 0 0
24 25 1 0 0 0 0
26 27 2 0 0 0 0
26 40 1 0 0 0 0
27 41 1 0 0 0 0
29 43 1 0 0 0 0
29 44 1 0 0 0 0
29 45 1 0 0 0 0
M END
$$$$