B29MZO
-OEChem-04022108212D
32 33 0 0 0 0 0 0 0999 V2000
2.0000 -0.1230 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.3770 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.3770 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.4282 2.7430 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.4282 1.0110 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 2.2430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 0.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.8770 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.1230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.1230 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.1230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.4970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.4970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.9330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 21 1 0 0 0 0
2 6 2 0 0 0 0
2 7 2 0 0 0 0
2 9 1 0 0 0 0
2 17 1 0 0 0 0
3 17 1 0 0 0 0
4 17 1 0 0 0 0
5 17 1 0 0 0 0
8 23 1 0 0 0 0
8 32 1 0 0 0 0
9 12 1 0 0 0 0
9 24 1 0 0 0 0
10 13 1 0 0 0 0
10 14 1 0 0 0 0
10 25 1 0 0 0 0
11 16 2 0 0 0 0
11 20 1 0 0 0 0
12 13 2 0 0 0 0
12 15 1 0 0 0 0
13 16 1 0 0 0 0
14 18 2 0 0 0 0
14 19 1 0 0 0 0
15 20 2 0 0 0 0
15 26 1 0 0 0 0
16 27 1 0 0 0 0
18 21 1 0 0 0 0
18 28 1 0 0 0 0
19 22 2 0 0 0 0
19 29 1 0 0 0 0
20 30 1 0 0 0 0
21 23 2 0 0 0 0
22 23 1 0 0 0 0
22 31 1 0 0 0 0
M END
$$$$