BB5S0R
-OEChem-04012114462D
47 51 0 0 0 0 0 0 0999 V2000
2.1810 5.3348 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.9771 0.0715 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.6227 1.4782 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6776 -5.1286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7567 -0.0218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.4350 -1.3265 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6227 -1.5218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0186 -0.5218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7861 1.4727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4888 -1.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4888 -0.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6227 0.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7567 -1.0218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7456 -2.2770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4350 0.2829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8907 0.4782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8907 -1.5218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7241 -2.4833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0778 -3.0214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8080 1.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4013 2.5942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3080 0.8146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0348 -3.4338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3884 -3.9719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3669 -4.1781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4067 2.6987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9890 3.4032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5823 4.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5878 4.4213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6561 -5.3348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6276 0.8723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5807 -0.9849 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3537 -1.8318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2007 -2.0587 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1382 -2.0218 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4711 -2.8935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6914 0.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6415 -3.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9744 -4.4333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0423 2.1971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6056 3.3384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3834 3.6771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9467 4.8183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.5283 -5.9415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.2628 -5.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7840 -4.7282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 30 1 0 0 0 0
2 16 1 0 0 0 0
2 22 1 0 0 0 0
3 12 2 0 0 0 0
4 25 1 0 0 0 0
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6 8 1 0 0 0 0
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10 11 2 0 0 0 0
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29 44 1 0 0 0 0
31 45 1 0 0 0 0
31 46 1 0 0 0 0
31 47 1 0 0 0 0
M END
$$$$