B5CSO3
-OEChem-04022101332D
45 45 0 0 0 0 0 0 0999 V2000
9.3064 4.1177 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
1.4061 4.1442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4061 2.0958 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.0702 5.6200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8022 2.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8022 5.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8022 0.6200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.0702 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0702 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9362 4.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9362 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1762 4.1547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1762 2.0853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2702 3.6408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2702 2.5992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8022 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9362 5.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9362 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8022 6.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6682 7.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6682 8.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5381 3.6475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4099 1.0959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1834 4.7746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1834 1.4654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3392 3.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3256 1.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7242 0.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5902 7.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1916 6.5123 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3392 5.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8803 6.5374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2788 7.2277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.2882 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6682 8.7400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0482 8.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8022 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3392 0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2302 4.1856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0000 3.3396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8461 3.1094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7899 1.0935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4123 0.4759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0299 1.0982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3063 4.1177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
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23 44 1 0 0 0 0
M END
$$$$