B9VCN0
-OEChem-04022101422D
37 40 0 0 0 0 0 0 0999 V2000
5.4095 -3.7885 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
5.8169 3.9246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.3830 3.0236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7892 -0.2044 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5837 -0.3458 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5667 -1.7947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7840 1.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8830 0.8330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9820 1.2669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0065 2.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7595 2.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3830 3.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2295 0.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6536 0.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7690 2.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6452 -0.7978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2318 0.8460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 1.8616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3907 -2.3612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3122 -3.3581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2934 -1.9308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1362 -3.9246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1174 -2.4973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0388 -3.4942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5651 1.9728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3930 2.7265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1140 3.5822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3744 -0.0561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2090 0.9689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6380 3.1702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7789 0.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4082 2.0466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0070 -2.0616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3421 -1.3127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0875 -4.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6771 -2.2304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5498 -3.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
2 12 2 0 0 0 0
3 11 1 0 0 0 0
3 12 1 0 0 0 0
3 27 1 0 0 0 0
4 8 2 0 0 0 0
4 16 1 0 0 0 0
5 14 1 0 0 0 0
5 16 2 0 0 0 0
6 16 1 0 0 0 0
6 19 1 0 0 0 0
6 33 1 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
7 14 2 0 0 0 0
8 9 1 0 0 0 0
9 11 1 0 0 0 0
9 13 2 0 0 0 0
10 12 1 0 0 0 0
10 25 1 0 0 0 0
10 26 1 0 0 0 0
11 15 2 0 0 0 0
13 17 1 0 0 0 0
13 28 1 0 0 0 0
14 29 1 0 0 0 0
15 18 1 0 0 0 0
15 30 1 0 0 0 0
17 18 2 0 0 0 0
17 31 1 0 0 0 0
18 32 1 0 0 0 0
19 20 1 0 0 0 0
19 21 2 0 0 0 0
20 22 2 0 0 0 0
21 23 1 0 0 0 0
21 34 1 0 0 0 0
22 24 1 0 0 0 0
22 35 1 0 0 0 0
23 24 2 0 0 0 0
23 36 1 0 0 0 0
24 37 1 0 0 0 0
M END
$$$$