BHQ86P
-OEChem-04022103232D
44 46 0 1 0 0 0 0 0999 V2000
2.0000 -2.6739 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 0.8261 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3261 0.0000 S 0 3 3 0 0 0 0 0 0 0 0 0
4.5981 -2.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 -0.0400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 1.6921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -0.6739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 0.8261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.3261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5411 0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9230 0.9139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2320 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2320 1.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8198 2.6739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 0.0161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 1.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 1.3010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4082 -1.2565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.8067 -0.5663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2520 0.9087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8535 0.2184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.9316 -1.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7287 -1.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2382 0.7891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 1.6361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6182 1.8630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1307 0.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3334 0.7223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8676 2.3665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3214 2.3095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1843 3.1755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3182 3.0384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 19 1 0 0 0 0
2 5 2 0 0 0 0
2 6 2 0 0 0 0
2 8 1 0 0 0 0
2 15 1 0 0 0 0
3 16 1 0 0 0 0
3 20 1 0 0 0 0
3 21 1 0 0 0 0
4 14 1 0 0 0 0
4 18 1 0 0 0 0
7 17 2 0 0 0 0
8 10 1 0 0 0 0
8 11 1 0 0 0 0
8 25 1 0 0 0 0
9 12 1 0 0 0 0
9 13 1 0 0 0 0
9 14 1 0 0 0 0
9 26 1 0 0 0 0
10 12 1 0 0 0 0
10 27 1 0 0 0 0
10 28 1 0 0 0 0
11 13 1 0 0 0 0
11 29 1 0 0 0 0
11 30 1 0 0 0 0
12 31 1 0 0 0 0
12 32 1 0 0 0 0
13 33 1 0 0 0 0
13 34 1 0 0 0 0
14 16 2 0 0 0 0
15 35 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
16 17 1 0 0 0 0
17 19 1 0 0 0 0
18 19 2 0 0 0 0
18 38 1 0 0 0 0
20 22 2 0 0 0 0
20 39 1 0 0 0 0
21 23 2 0 0 0 0
21 40 1 0 0 0 0
22 23 1 0 0 0 0
22 24 1 0 0 0 0
23 41 1 0 0 0 0
24 42 1 0 0 0 0
24 43 1 0 0 0 0
24 44 1 0 0 0 0
M CHG 1 3 1
M END
$$$$