BC1I2F
-OEChem-04022103072D
42 44 0 1 0 0 0 0 0999 V2000
12.3070 1.8367 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
11.9463 0.4693 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
10.9396 2.1975 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
9.7109 1.3267 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -0.1975 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 0.7971 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.6042 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 0.1389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.6975 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.4487 -1.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -0.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 -2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -0.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 -0.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 0.8025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9407 -0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9407 1.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8468 0.8234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8468 -0.2183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5000 1.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5788 0.8300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4429 1.3334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9856 -1.0075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 -1.3875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2727 -1.6605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0457 -2.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8927 -2.7344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0047 -2.7344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8517 -2.5075 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6247 -1.6605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 -1.3175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7778 1.1125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 1.9225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9336 -1.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.9336 1.9572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.3825 -0.5303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2478 1.5714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.1821 0.3536 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
10.9792 0.3566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 25 1 0 0 0 0
2 25 1 0 0 0 0
3 25 1 0 0 0 0
4 21 1 0 0 0 0
4 24 1 0 0 0 0
5 6 1 0 0 0 0
5 7 1 0 0 0 0
5 9 1 0 0 0 0
6 23 2 0 0 0 0
7 8 2 0 0 0 0
8 23 1 0 0 0 0
9 10 1 0 0 0 0
9 11 1 0 0 0 0
9 26 1 0 0 0 0
10 12 1 0 0 0 0
10 13 1 0 0 0 0
10 27 1 0 0 0 0
11 14 2 0 0 0 0
11 15 1 0 0 0 0
12 28 1 0 0 0 0
12 29 1 0 0 0 0
12 30 1 0 0 0 0
13 31 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 16 1 0 0 0 0
14 34 1 0 0 0 0
15 18 2 0 0 0 0
15 35 1 0 0 0 0
16 17 2 0 0 0 0
16 19 1 0 0 0 0
17 18 1 0 0 0 0
17 20 1 0 0 0 0
18 36 1 0 0 0 0
19 22 2 0 0 0 0
19 37 1 0 0 0 0
20 21 2 0 0 0 0
20 38 1 0 0 0 0
21 22 1 0 0 0 0
22 39 1 0 0 0 0
23 40 1 0 0 0 0
24 25 1 0 0 0 0
24 41 1 0 0 0 0
24 42 1 0 0 0 0
M END
$$$$