B26LDF
-OEChem-04022106362D
38 40 0 1 0 0 0 0 0999 V2000
2.5000 -2.2719 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 3.4305 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
6.4507 -4.7405 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
2.4612 0.3154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4487 3.4305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.4487 3.4305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 -1.0695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 -0.5695 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 4.4305 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4782 -2.0640 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.2213 -2.7331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.4059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6691 -0.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 0.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0134 -3.7113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1724 -2.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 0.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 0.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4487 2.4305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5827 1.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3147 1.9305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7565 -4.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9155 -3.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7076 -4.0714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3177 -2.6629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5851 -0.9451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4984 -1.7703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9856 -0.8795 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4237 -3.9029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.3012 -1.8177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0457 0.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8517 0.6205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0457 2.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.8517 2.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6276 -4.9869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5052 -2.9016 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9856 4.7405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9118 4.7405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 10 1 0 0 0 0
1 12 1 0 0 0 0
2 5 2 0 0 0 0
2 6 2 0 0 0 0
2 9 1 0 0 0 0
2 19 1 0 0 0 0
3 24 1 0 0 0 0
4 13 2 0 0 0 0
7 8 1 0 0 0 0
7 10 1 0 0 0 0
7 13 1 0 0 0 0
8 14 1 0 0 0 0
8 28 1 0 0 0 0
9 37 1 0 0 0 0
9 38 1 0 0 0 0
10 11 1 0 0 0 0
10 25 1 0 0 0 0
11 15 2 0 0 0 0
11 16 1 0 0 0 0
12 13 1 0 0 0 0
12 26 1 0 0 0 0
12 27 1 0 0 0 0
14 17 2 0 0 0 0
14 18 1 0 0 0 0
15 22 1 0 0 0 0
15 29 1 0 0 0 0
16 23 2 0 0 0 0
16 30 1 0 0 0 0
17 20 1 0 0 0 0
17 31 1 0 0 0 0
18 21 2 0 0 0 0
18 32 1 0 0 0 0
19 20 2 0 0 0 0
19 21 1 0 0 0 0
20 33 1 0 0 0 0
21 34 1 0 0 0 0
22 24 2 0 0 0 0
22 35 1 0 0 0 0
23 24 1 0 0 0 0
23 36 1 0 0 0 0
M END
$$$$