B2ENM1
-OEChem-04012113033D
22 22 0 0 0 0 0 0 0999 V2000
4.5273 -0.0677 0.6432 Br 0 0 0 0 0 0 0 0 0 0 0 0
-0.5456 2.1952 -0.8741 S 0 0 0 0 0 0 0 0 0 0 0 0
0.8017 -0.5508 -0.9863 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5764 -0.2342 1.1932 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.4729 -0.5601 -0.5024 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2199 0.6125 -0.3886 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0268 -1.7802 -0.1147 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5207 0.5648 0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3276 -1.8277 0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0746 -0.6553 0.5005 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7955 -0.3732 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6536 3.0606 0.7066 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1407 -0.3838 -0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4518 -2.6984 -0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1290 1.4613 0.2015 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7591 -2.7778 0.6879 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0882 -0.6930 0.8886 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1549 2.4898 1.4950 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6941 3.2395 0.9896 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1550 4.0297 0.6167 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2092 0.4216 -1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3378 -1.3592 -1.1236 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
2 6 1 0 0 0 0
2 12 1 0 0 0 0
3 5 1 0 0 0 0
3 11 1 0 0 0 0
4 11 2 0 0 0 0
5 6 1 0 0 0 0
5 7 2 0 0 0 0
6 8 2 0 0 0 0
7 9 1 0 0 0 0
7 14 1 0 0 0 0
8 10 1 0 0 0 0
8 15 1 0 0 0 0
9 10 2 0 0 0 0
9 16 1 0 0 0 0
10 17 1 0 0 0 0
11 13 1 0 0 0 0
12 18 1 0 0 0 0
12 19 1 0 0 0 0
12 20 1 0 0 0 0
13 21 1 0 0 0 0
13 22 1 0 0 0 0
M END
$$$$