B5AFQ3
-OEChem-04012113272D
45 47 0 1 0 0 0 0 0999 V2000
6.8671 -3.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 3.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 0.0000 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0
6.8671 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 1.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.2690 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 0.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6675 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 0.9749 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7924 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1909 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8705 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6675 -1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3471 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7456 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5369 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2565 -0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6550 -1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9091 1.4631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.1360 2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.2891 2.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0021 -1.1900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0021 -2.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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22 24 1 0 0 0 0
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23 44 1 0 0 0 0
24 45 1 0 0 0 0
M END
$$$$