BXH3D6
-OEChem-04012113302D
30 31 0 0 0 0 0 0 0999 V2000
2.0000 0.3170 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.6830 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.8170 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 0.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 2.6830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 0.9510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 1.3170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.6830 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.6830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 1.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 0.1270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.2382 1.7800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4651 2.6270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6182 2.8539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -1.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -1.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -1.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.9370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -1.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 18 1 0 0 0 0
2 19 1 0 0 0 0
3 5 2 0 0 0 0
3 6 2 0 0 0 0
3 7 1 0 0 0 0
3 13 1 0 0 0 0
4 10 1 0 0 0 0
4 12 1 0 0 0 0
7 9 1 0 0 0 0
7 21 1 0 0 0 0
8 14 2 0 0 0 0
8 15 1 0 0 0 0
9 10 2 0 0 0 0
9 11 1 0 0 0 0
10 14 1 0 0 0 0
11 15 2 0 0 0 0
11 22 1 0 0 0 0
12 16 2 0 0 0 0
12 17 1 0 0 0 0
13 23 1 0 0 0 0
13 24 1 0 0 0 0
13 25 1 0 0 0 0
14 26 1 0 0 0 0
15 27 1 0 0 0 0
16 19 1 0 0 0 0
16 28 1 0 0 0 0
17 18 2 0 0 0 0
17 29 1 0 0 0 0
18 20 1 0 0 0 0
19 20 2 0 0 0 0
20 30 1 0 0 0 0
M END
$$$$