BWI75Z
-OEChem-04022102162D
44 48 0 0 0 0 0 0 0999 V2000
4.6701 -4.0352 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
7.2392 0.8313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.1701 1.5036 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8611 0.5526 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7392 -0.7075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7392 -0.7075 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4791 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -0.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1701 1.5036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -1.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 2.3126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4302 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -1.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 3.2262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 2.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0482 0.2436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9993 0.5526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5361 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8041 -2.5352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 4.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6701 -3.0352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 3.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7424 -0.1166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2072 1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6935 0.1925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1582 1.8397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9014 1.1706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5345 2.0052 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0730 -1.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2671 -1.2252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6056 3.2910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3356 1.6417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0730 -2.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2671 -2.8452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6534 4.6016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 4.4323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.6135 -0.7230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7464 1.9456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.1542 -0.2224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2871 2.4462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.4910 1.3622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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28 43 1 0 0 0 0
29 44 1 0 0 0 0
M END
$$$$