BKAC07
-OEChem-04022103002D
36 37 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
5.4921 1.3981 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
6.2353 2.0672 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
4.2320 2.6581 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
6.0274 3.0453 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
6.7705 3.7145 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
7.7216 3.4055 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
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
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
7.3152 1.1517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4377 3.2369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5191 2.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6416 4.3209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.1823 3.8203 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 23 1 0 0 0 0
3 12 1 0 0 0 0
4 11 1 0 0 0 0
4 17 1 0 0 0 0
5 8 1 0 0 0 0
5 9 1 0 0 0 0
5 12 1 0 0 0 0
6 7 1 0 0 0 0
6 9 2 0 0 0 0
7 12 2 0 0 0 0
8 10 1 0 0 0 0
8 24 1 0 0 0 0
8 25 1 0 0 0 0
9 11 1 0 0 0 0
10 13 2 0 0 0 0
10 14 1 0 0 0 0
11 26 1 0 0 0 0
11 27 1 0 0 0 0
13 15 1 0 0 0 0
13 28 1 0 0 0 0
14 16 2 0 0 0 0
14 29 1 0 0 0 0
15 18 2 0 0 0 0
15 30 1 0 0 0 0
16 18 1 0 0 0 0
16 31 1 0 0 0 0
17 19 2 0 0 0 0
17 20 1 0 0 0 0
18 32 1 0 0 0 0
19 21 1 0 0 0 0
19 33 1 0 0 0 0
20 22 2 0 0 0 0
20 34 1 0 0 0 0
21 23 2 0 0 0 0
21 35 1 0 0 0 0
22 23 1 0 0 0 0
22 36 1 0 0 0 0
M CHG 2 1 1 3 -1
M END
$$$$