benzc1im.zmat

benzc1im+

1   NA          
2   CR    1  1.315        
3   NA    2  1.315   1  109.8    
4   CW    3  1.378   2  108.0   1    0.0
5   CW    4  1.341   3  107.1   2    0.0
6   C1    1  1.466   5  125.6   4  180.0
7   HCR   2  1.08    1  125.1   3  180.0
8   C1T   3  1.529   2  120.0   1  180.0
9   HCW   4  1.08    3  126.5   2  180.0
10  HCW   5  1.08    4  126.5   3  180.0
11  H1    6  1.09    1  109.5   5   60.0
12  H1    6  1.09    1  109.5   5  180.0
13  H1    6  1.09    1  109.5   5  300.0
14  H1    8  1.09    3  109.5   2   30.0
15  H1    8  1.09    3  109.5   2  150.0
16  CAT   8  1.51    3  109.5   2  270.0
17  CAO  16  1.40    8  120.0   3  180.0
18  CAM  17  1.40   16  120.0   8  180.0
19  CAP  18  1.40   17  120.0  16    0.0
20  CAM  19  1.40   18  120.0  17    0.0
21  CAO  20  1.40   19  120.0  18    0.0
22  HAT  17  1.08   16  120.0   8    0.0
23  HAT  18  1.08   17  120.0  16  180.0
24  HAT  19  1.08   18  120.0  17  180.0
25  HAT  20  1.08   19  120.0  18  180.0
26  HAT  21  1.08   20  120.0  19  180.0

connect   5   1
connect  21  16

il.ff