B2BF9I
-OEChem-04012118162D
40 41 0 1 0 0 0 0 0999 V2000
6.3301 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 -1.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -2.6012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 1.8988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8660 2.3988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3776 1.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5686 2.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0468 2.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5468 3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 1.3988 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
4.5981 0.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -0.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 1.8988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4641 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 -1.6012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1962 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7320 -3.1012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0677 0.9551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8792 1.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.5038 3.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9486 2.8933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.4616 1.7744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5484 2.5996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1132 3.3534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.3552 3.6909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5981 2.0188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.0010 0.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.5062 -1.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.7331 -0.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.8862 -0.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3100 -0.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4631 -0.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6900 -1.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4220 -2.5643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1951 -3.4112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0420 -3.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 15 1 0 0 0 0
1 18 1 0 0 0 0
2 16 1 0 0 0 0
2 19 1 0 0 0 0
3 17 1 0 0 0 0
3 20 1 0 0 0 0
4 6 1 0 0 0 0
4 7 1 0 0 0 0
4 10 1 0 0 0 0
5 14 3 0 0 0 0
6 8 1 0 0 0 0
6 21 1 0 0 0 0
6 22 1 0 0 0 0
7 9 1 0 0 0 0
7 23 1 0 0 0 0
7 24 1 0 0 0 0
8 9 1 0 0 0 0
8 25 1 0 0 0 0
8 26 1 0 0 0 0
9 27 1 0 0 0 0
9 28 1 0 0 0 0
10 11 1 0 0 0 0
10 14 1 0 0 0 0
10 29 1 0 0 0 0
11 12 2 0 0 0 0
11 13 1 0 0 0 0
12 16 1 0 0 0 0
12 30 1 0 0 0 0
13 15 2 0 0 0 0
13 31 1 0 0 0 0
15 17 1 0 0 0 0
16 17 2 0 0 0 0
18 32 1 0 0 0 0
18 33 1 0 0 0 0
18 34 1 0 0 0 0
19 35 1 0 0 0 0
19 36 1 0 0 0 0
19 37 1 0 0 0 0
20 38 1 0 0 0 0
20 39 1 0 0 0 0
20 40 1 0 0 0 0
M END
$$$$