BR3EH5
-OEChem-04022102582D
42 43 0 0 0 0 0 0 0999 V2000
4.4131 4.3807 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0
2.8660 -4.3807 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
4.8198 3.4672 0.0000 S 0 5 0 0 0 0 0 0 0 0 0 0
2.8660 -0.3807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5411 1.7071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9230 1.7071 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2320 2.6581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2353 2.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4921 1.3981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1863 1.7582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9295 2.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2320 2.6581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8805 2.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7216 3.4055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6237 2.7874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4647 4.0746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4158 3.7656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5263 2.6146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7467 2.4489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2011 0.8506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9807 1.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8952 1.2108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.6749 1.3765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -0.4633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 0.2270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.0094 1.5118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1319 3.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.2133 2.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.3358 4.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.8765 4.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -1.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -1.5707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2690 -3.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -3.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2 25 1 0 0 0 0
3 13 1 0 0 0 0
4 14 1 0 0 0 0
4 20 1 0 0 0 0
5 9 1 0 0 0 0
5 12 1 0 0 0 0
5 13 1 0 0 0 0
6 7 1 0 0 0 0
6 12 2 0 0 0 0
7 13 2 0 0 0 0
8 9 1 0 0 0 0
8 10 1 0 0 0 0
8 26 1 0 0 0 0
8 27 1 0 0 0 0
9 28 1 0 0 0 0
9 29 1 0 0 0 0
10 11 1 0 0 0 0
10 30 1 0 0 0 0
10 31 1 0 0 0 0
11 15 2 0 0 0 0
11 16 1 0 0 0 0
12 14 1 0 0 0 0
14 32 1 0 0 0 0
14 33 1 0 0 0 0
15 17 1 0 0 0 0
15 34 1 0 0 0 0
16 18 2 0 0 0 0
16 35 1 0 0 0 0
17 19 2 0 0 0 0
17 36 1 0 0 0 0
18 19 1 0 0 0 0
18 37 1 0 0 0 0
19 38 1 0 0 0 0
20 21 2 0 0 0 0
20 22 1 0 0 0 0
21 23 1 0 0 0 0
21 39 1 0 0 0 0
22 24 2 0 0 0 0
22 40 1 0 0 0 0
23 25 2 0 0 0 0
23 41 1 0 0 0 0
24 25 1 0 0 0 0
24 42 1 0 0 0 0
M CHG 2 1 1 3 -1
M END
$$$$