BF9NS8
-OEChem-04012113222D
39 40 0 1 0 0 0 0 0999 V2000
2.8660 1.8988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.9274 -0.4642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -2.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5116 1.4921 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
4.7026 2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1808 2.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6808 3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7195 0.5139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4030 -0.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -1.0186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -1.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -1.7089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -1.0186 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6540 0.4814 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2554 -0.2089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3894 -2.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7880 -3.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -3.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 -2.4936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4675 -3.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2646 -3.5762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9441 -0.1838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3426 0.5064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.0298 1.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.6378 3.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0826 2.8933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.5956 1.7744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.6823 2.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.2472 3.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4892 3.6909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 16 2 0 0 0 0
2 12 1 0 0 0 0
2 13 1 0 0 0 0
2 16 1 0 0 0 0
3 17 3 0 0 0 0
4 5 1 0 0 0 0
4 6 1 0 0 0 0
4 7 1 0 0 0 0
4 18 1 0 0 0 0
5 8 1 0 0 0 0
5 19 1 0 0 0 0
5 20 1 0 0 0 0
6 9 1 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
7 11 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 10 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 10 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 29 1 0 0 0 0
10 30 1 0 0 0 0
11 16 1 0 0 0 0
11 31 1 0 0 0 0
11 32 1 0 0 0 0
12 14 1 0 0 0 0
12 17 1 1 0 0 0
12 33 1 0 0 0 0
13 15 1 0 0 0 0
13 34 1 0 0 0 0
13 35 1 0 0 0 0
14 15 1 0 0 0 0
14 36 1 0 0 0 0
14 37 1 0 0 0 0
15 38 1 0 0 0 0
15 39 1 0 0 0 0
M END
$$$$