B2V4YX
-OEChem-04012113302D
30 31 0 0 0 0 0 0 0999 V2000
2.0000 -0.4330 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 1.0670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.7942 2.0670 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
8.4282 2.4330 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.4282 0.7010 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.5622 1.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.5622 0.2010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -2.4330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9282 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0622 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6592 0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -0.6230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.7932 -2.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.5991 -2.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.1350 -2.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3291 -2.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 20 1 0 0 0 0
2 7 2 0 0 0 0
2 8 2 0 0 0 0
2 9 1 0 0 0 0
2 14 1 0 0 0 0
3 14 1 0 0 0 0
4 14 1 0 0 0 0
5 14 1 0 0 0 0
6 12 1 0 0 0 0
6 15 1 0 0 0 0
9 11 1 0 0 0 0
9 23 1 0 0 0 0
10 16 2 0 0 0 0
10 17 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
12 16 1 0 0 0 0
13 17 2 0 0 0 0
13 24 1 0 0 0 0
15 18 2 0 0 0 0
15 19 1 0 0 0 0
16 25 1 0 0 0 0
17 26 1 0 0 0 0
18 20 1 0 0 0 0
18 27 1 0 0 0 0
19 21 2 0 0 0 0
19 28 1 0 0 0 0
20 22 2 0 0 0 0
21 22 1 0 0 0 0
21 29 1 0 0 0 0
22 30 1 0 0 0 0
M END
$$$$