D0V4UO
-OEChem-02041520402D
27 29 0 0 0 0 0 0 0999 V2000
4.9889 1.7577 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 0.0024 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 -0.8023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 -0.9976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.2619 1.0024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5406 -1.7577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6097 1.0902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2619 0.0024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8007 -0.4976 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.8497 0.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2619 0.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8497 -0.8066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6783 0.8071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8007 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.9976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.5024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.4976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1018 1.3778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.3127 1.1214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3023 -0.8620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 1.6224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 0.8124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.8076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 14 1 0 0 0 0
2 4 2 0 0 0 0
2 5 2 0 0 0 0
2 8 1 0 0 0 0
2 11 1 0 0 0 0
3 11 1 0 0 0 0
3 15 1 0 0 0 0
6 12 2 0 0 0 0
7 16 2 0 0 0 0
8 10 1 0 0 0 0
8 12 1 0 0 0 0
9 12 1 0 0 0 0
9 16 1 0 0 0 0
9 23 1 0 0 0 0
10 16 1 0 0 0 0
10 21 1 0 0 0 0
10 22 1 0 0 0 0
11 14 2 0 0 0 0
13 14 1 0 0 0 0
13 15 1 0 0 0 0
13 17 2 0 0 0 0
15 18 2 0 0 0 0
17 19 1 0 0 0 0
17 24 1 0 0 0 0
18 20 1 0 0 0 0
18 25 1 0 0 0 0
19 20 2 0 0 0 0
19 26 1 0 0 0 0
20 27 1 0 0 0 0
M END
$$$$