BU2XW4
-OEChem-04012117512D
49 52 0 0 0 0 0 0 0999 V2000
13.6279 -2.2990 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 -0.5057 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8550 2.0543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6279 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.6279 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1279 0.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.7010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1279 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1279 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1279 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6279 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6279 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1279 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1279 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1279 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5443 1.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1279 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1279 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6279 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5453 -1.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2356 -2.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2356 0.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5453 0.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0202 -2.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7105 -1.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7105 0.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.0202 0.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7105 0.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.0202 0.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8179 -1.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
11.8179 0.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
13.4379 0.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
14.2479 -0.5670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 1.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3520 2.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 2.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1120 2.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -0.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -1.2379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 22 1 0 0 0 0
2 7 1 0 0 0 0
2 20 1 0 0 0 0
3 13 2 0 0 0 0
4 19 2 0 0 0 0
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27 44 1 0 0 0 0
27 45 1 0 0 0 0
27 46 1 0 0 0 0
28 47 1 0 0 0 0
28 48 1 0 0 0 0
28 49 1 0 0 0 0
M END
$$$$