BK84EV
-OEChem-04012114402D
32 36 0 0 0 0 0 0 0999 V2000
9.6007 2.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7997 -0.2762 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5367 1.3909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2688 0.3909 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4328 -1.2784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6119 2.8627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.0058 2.0580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7665 0.3048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5660 -0.7799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.7722 0.1986 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2048 -1.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8212 -0.0699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5367 0.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1935 -1.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4027 -0.1091 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1533 -0.8142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7683 -2.1229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8143 -1.9096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3697 -2.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3996 -2.8584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1748 -0.6080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4027 1.8909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2688 1.3909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0524 0.5053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2948 0.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9221 -1.3895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
5.6797 -1.1419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1509 -2.1800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
9.4302 -1.8382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1149 -3.5310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7655 -3.3590 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -1.0331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0
1 6 1 0 0 0 0
1 7 1 0 0 0 0
2 11 1 0 0 0 0
2 12 1 0 0 0 0
2 13 1 0 0 0 0
3 13 2 0 0 0 0
3 22 1 0 0 0 0
4 15 2 0 0 0 0
4 23 1 0 0 0 0
5 9 1 0 0 0 0
5 21 2 0 0 0 0
6 22 2 0 0 0 0
7 23 2 0 0 0 0
8 10 2 0 0 0 0
8 21 1 0 0 0 0
9 10 1 0 0 0 0
9 32 1 0 0 0 0
11 14 1 0 0 0 0
11 17 2 0 0 0 0
12 16 1 0 0 0 0
12 24 1 0 0 0 0
12 25 1 0 0 0 0
13 15 1 0 0 0 0
14 15 1 0 0 0 0
14 18 2 0 0 0 0
16 21 1 0 0 0 0
16 26 1 0 0 0 0
16 27 1 0 0 0 0
17 19 1 0 0 0 0
17 28 1 0 0 0 0
18 20 1 0 0 0 0
18 29 1 0 0 0 0
19 20 2 0 0 0 0
19 30 1 0 0 0 0
20 31 1 0 0 0 0
22 23 1 0 0 0 0
M END
$$$$