B4DCG1
-OEChem-04012112092D
41 43 0 0 0 0 0 0 0999 V2000
3.4154 3.6739 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0
4.5032 -2.6739 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.1165 0.6778 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
3.5032 -2.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.5032 -2.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.5352 0.6267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6942 1.9139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.5032 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3122 1.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5032 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0032 2.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2633 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0032 2.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5032 -1.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 -0.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3692 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6372 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7431 1.6048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0064 2.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4712 0.6267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5032 -3.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.2740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9575 1.9650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4223 0.3177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1654 0.9868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3676 3.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9062 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1003 0.1361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9062 -1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1003 -1.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8775 2.8804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0104 0.2118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8832 -3.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5032 -4.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1232 -3.6739 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4149 2.7347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5392 2.6888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 1.8132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.4182 2.3798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5512 -0.2888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 1 0 0 0 0
2 4 2 0 0 0 0
2 5 2 0 0 0 0
2 14 1 0 0 0 0
2 22 1 0 0 0 0
3 26 1 0 0 0 0
6 19 2 0 0 0 0
7 8 1 0 0 0 0
7 13 1 0 0 0 0
7 19 1 0 0 0 0
8 9 2 0 0 0 0
8 10 1 0 0 0 0
9 11 1 0 0 0 0
9 12 1 0 0 0 0
10 15 2 0 0 0 0
10 16 1 0 0 0 0
11 13 2 0 0 0 0
11 27 1 0 0 0 0
12 20 2 0 0 0 0
12 21 1 0 0 0 0
14 17 2 0 0 0 0
14 18 1 0 0 0 0
15 17 1 0 0 0 0
15 28 1 0 0 0 0
16 18 2 0 0 0 0
16 29 1 0 0 0 0
17 30 1 0 0 0 0
18 31 1 0 0 0 0
19 23 1 0 0 0 0
20 24 1 0 0 0 0
20 32 1 0 0 0 0
21 25 2 0 0 0 0
21 33 1 0 0 0 0
22 34 1 0 0 0 0
22 35 1 0 0 0 0
22 36 1 0 0 0 0
23 37 1 0 0 0 0
23 38 1 0 0 0 0
23 39 1 0 0 0 0
24 26 2 0 0 0 0
24 40 1 0 0 0 0
25 26 1 0 0 0 0
25 41 1 0 0 0 0
M END
$$$$