B2TF5I
-OEChem-04022108152D
31 33 0 0 0 0 0 0 0999 V2000
3.7817 -3.0173 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.0414 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 -1.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2622 -1.9827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1282 -0.4827 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.2622 1.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6641 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 -0.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 0.0520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7702 -2.0174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3961 -1.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2622 0.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -0.4619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8641 -1.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1282 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1282 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8602 1.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 3.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8602 2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5301 0.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7773 0.6719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3284 -1.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.7252 1.3273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 0.3973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5913 2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3972 1.2073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.9942 3.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.3972 2.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0 0 0 0
2 15 1 0 0 0 0
3 8 1 0 0 0 0
3 13 1 0 0 0 0
4 13 2 0 0 0 0
5 14 2 0 0 0 0
6 14 1 0 0 0 0
6 17 1 0 0 0 0
6 26 1 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
7 11 2 0 0 0 0
8 12 2 0 0 0 0
9 10 2 0 0 0 0
9 13 1 0 0 0 0
9 14 1 0 0 0 0
10 23 1 0 0 0 0
11 15 1 0 0 0 0
11 24 1 0 0 0 0
12 16 1 0 0 0 0
15 16 2 0 0 0 0
16 25 1 0 0 0 0
17 18 2 0 0 0 0
17 19 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
20 29 1 0 0 0 0
21 22 1 0 0 0 0
21 30 1 0 0 0 0
22 31 1 0 0 0 0
M END
$$$$