B6F3MP
-OEChem-04022108002D
43 43 0 0 0 0 0 0 0999 V2000
6.3301 1.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 4.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 2.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 3.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3301 4.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 4.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -3.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -2.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 -1.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -1.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -4.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -4.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -5.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -1.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -1.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5200 0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1215 -0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8101 -0.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2087 0.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0611 1.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9272 3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8671 2.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5062 4.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8862 5.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 2 0 0 0 0
2 17 2 0 0 0 0
3 15 1 0 0 0 0
3 16 1 0 0 0 0
3 38 1 0 0 0 0
4 5 1 0 0 0 0
4 16 1 0 0 0 0
4 39 1 0 0 0 0
5 17 1 0 0 0 0
5 40 1 0 0 0 0
6 7 1 0 0 0 0
6 8 1 0 0 0 0
6 9 1 0 0 0 0
6 19 1 0 0 0 0
7 10 1 0 0 0 0
7 20 1 0 0 0 0
7 21 1 0 0 0 0
8 11 1 0 0 0 0
8 22 1 0 0 0 0
8 23 1 0 0 0 0
9 13 1 0 0 0 0
9 24 1 0 0 0 0
9 25 1 0 0 0 0
10 12 1 0 0 0 0
10 26 1 0 0 0 0
10 27 1 0 0 0 0
11 12 1 0 0 0 0
11 28 1 0 0 0 0
11 29 1 0 0 0 0
12 30 1 0 0 0 0
12 31 1 0 0 0 0
13 14 1 0 0 0 0
13 32 1 0 0 0 0
13 33 1 0 0 0 0
14 15 1 0 0 0 0
14 34 1 0 0 0 0
14 35 1 0 0 0 0
15 36 1 0 0 0 0
15 37 1 0 0 0 0
17 18 1 0 0 0 0
18 41 1 0 0 0 0
18 42 1 0 0 0 0
18 43 1 0 0 0 0
M END
$$$$