|
|
|
|
|
|
|
Stretch: |
0.2059 |
|
Bend: |
3.6161 |
|
Stretch-Bend: |
0.0027 |
|
Torsion: |
-0.0134 |
|
Non-1,4 VDW: |
0 |
|
1,4 VDW: |
1.8629 |
|
Dipole/Dipole: |
2.8692 |
|
Total: |
8.5433 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Stretch: |
0.2059 |
|
Bend: |
3.6161 |
|
Stretch-Bend: |
0.0027 |
|
Torsion: |
0.3387 |
|
Non-1,4 VDW: |
0 |
|
1,4 VDW: |
1.3839 |
|
Dipole/Dipole: |
2.7014 |
|
Total: |
8.2486 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Stretch: |
0.2059 |
|
Bend: |
3.6161 |
|
Stretch-Bend: |
0.0027 |
|
Torsion: |
0.6498 |
|
Non-1,4 VDW: |
0 |
|
1,4 VDW: |
0.8598 |
|
Dipole/Dipole: |
2.3392 |
|
Total: |
7.6734 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Stretch: |
0.2059 |
|
Bend: |
3.6161 |
|
Stretch-Bend: |
0.0027 |
|
Torsion: |
0.1876 |
|
Non-1,4 VDW: |
0 |
|
1,4 VDW: |
0.9866 |
|
Dipole/Dipole: |
2.0084 |
|
Total: |
7.0072 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Stretch: |
0.2059 |
|
Bend: |
3.6161 |
|
Stretch-Bend: |
0.0027 |
|
Torsion: |
-0.2738 |
|
Non-1,4 VDW: |
0 |
|
1,4 VDW: |
1.2197 |
|
Dipole/Dipole: |
1.8003 |
|
Total: |
6.5708 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Stretch: |
0.2059 |
|
Bend: |
3.6161 |
|
Stretch-Bend: |
0.0027 |
|
Torsion: |
0.038 |
|
Non-1,4 VDW: |
0 |
|
1,4 VDW: |
1.0356 |
|
Dipole/Dipole: |
1.6988 |
|
Total: |
6.597 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Stretch: |
0.2059 |
|
Bend: |
3.6161 |
|
Stretch-Bend: |
0.0027 |
|
Torsion: |
0.3894 |
|
Non-1,4 VDW: |
0 |
|
1,4 VDW: |
0.8543 |
|
Dipole/Dipole: |
1.6696 |
|
Total: |
6.738 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Stretch: |
0.2059 |
|
Bend: |
3.6161 |
|
Stretch-Bend: |
0.0027 |
|
Torsion: |
0.0373 |
|
Non-1,4 VDW: |
0 |
|
1,4 VDW: |
1.0401 |
|
Dipole/Dipole: |
1.6988 |
|
Total: |
6.6009 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Stretch: |
0.2059 |
|
Bend: |
3.6161 |
|
Stretch-Bend: |
0.0027 |
|
Torsion: |
-0.2738 |
|
Non-1,4 VDW: |
0 |
|
1,4 VDW: |
1.2255 |
|
Dipole/Dipole: |
1.8003 |
|
Total: |
6.5767 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Stretch: |
0.2059 |
|
Bend: |
3.6161 |
|
Stretch-Bend: |
0.0027 |
|
Torsion: |
0.1884 |
|
Non-1,4 VDW: |
0 |
|
1,4 VDW: |
0.9894 |
|
Dipole/Dipole: |
2.0084 |
|
Total: |
7.0109 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Stretch: |
0.2059 |
|
Bend: |
3.6161 |
|
Stretch-Bend: |
0.0027 |
|
Torsion: |
0.6498 |
|
Non-1,4 VDW: |
0 |
|
1,4 VDW: |
0.8596 |
|
Dipole/Dipole: |
2.3392 |
|
Total: |
7.6732 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Stretch: |
0.2059 |
|
Bend: |
3.6161 |
|
Stretch-Bend: |
0.0027 |
|
Torsion: |
0.338 |
|
Non-1,4 VDW: |
0 |
|
1,4 VDW: |
1.383 |
|
Dipole/Dipole: |
2.7014 |
|
Total: |
8.2471 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
Stretch: |
0.2059 |
|
Bend: |
3.6161 |
|
Stretch-Bend: |
0.0027 |
|
Torsion: |
-0.0134 |
|
Non-1,4 VDW: |
0 |
|
1,4 VDW: |
1.8629 |
|
Dipole/Dipole: |
2.8692 |
|
Total: |
8.5433 |
|
|
|
|
|
|
|