|
|
| Calculation
star |
ted |
| Stretch: |
0.1535 |
| Bend: |
0.284 |
| Stretch-Bend: |
0.0532 |
| Torsion: |
0.0072 |
| Non-1,4 VDW: |
-0.4034 |
| 1,4 VDW: |
2.0789 |
| Total: |
2.1734 |
|
| Calculation
comp |
leted |
|
| Calculation
star |
ted |
| Stretch: |
0.1535 |
| Bend: |
0.284 |
| Stretch-Bend: |
0.0532 |
| Torsion: |
1.1394 |
| Non-1,4 VDW: |
-0.2441 |
| 1,4 VDW: |
2.5116 |
| Total: |
3.8975 |
|
| Calculation
comp |
leted |
|
| Calculation
star |
ted |
| Stretch: |
0.1535 |
| Bend: |
0.284 |
| Stretch-Bend: |
0.0532 |
| Torsion: |
2.3623 |
| Non-1,4 VDW: |
-0.1943 |
| 1,4 VDW: |
2.9743 |
| Total: |
5.6329 |
|
| Calculation
comp |
leted |
|
| Calculation
star |
ted |
| Stretch: |
0.1535 |
| Bend: |
0.284 |
| Stretch-Bend: |
0.0532 |
| Torsion: |
1.4285 |
| Non-1,4 VDW: |
-0.301 |
| 1,4 VDW: |
2.5589 |
| Total: |
4.177 |
|
| Calculation
comp |
leted |
|
| Calculation
star |
ted |
| Stretch: |
0.1535 |
| Bend: |
0.284 |
| Stretch-Bend: |
0.0532 |
| Torsion: |
0.3597 |
| Non-1,4 VDW: |
0.7378 |
| 1,4 VDW: |
2.247 |
| Total: |
3.8352 |
|
| Calculation
comp |
leted |
|
| Calculation
star |
ted |
| Stretch: |
0.1535 |
| Bend: |
0.284 |
| Stretch-Bend: |
0.0532 |
| Torsion: |
1.3126 |
| Non-1,4 VDW: |
2.2429 |
| 1,4 VDW: |
2.924 |
| Total: |
6.9702 |
|
| Calculation
comp |
leted |
|
| Calculation
star |
ted |
| Stretch: |
0.1535 |
| Bend: |
0.284 |
| Stretch-Bend: |
0.0532 |
| Torsion: |
2.3098 |
| Non-1,4 VDW: |
3.8979 |
| 1,4 VDW: |
3.5563 |
| Total: |
10.2546 |
|
| Calculation
comp |
leted |
|
| Calculation
star |
ted |
| Stretch: |
0.1535 |
| Bend: |
0.284 |
| Stretch-Bend: |
0.0532 |
| Torsion: |
1.3126 |
| Non-1,4 VDW: |
2.2429 |
| 1,4 VDW: |
2.924 |
| Total: |
6.9702 |
|
| Calculation
comp |
leted |
|
| Calculation
star |
ted |
| Stretch: |
0.1535 |
| Bend: |
0.284 |
| Stretch-Bend: |
0.0532 |
| Torsion: |
0.3597 |
| Non-1,4 VDW: |
0.7378 |
| 1,4 VDW: |
2.247 |
| Total: |
3.8352 |
|
| Calculation
comp |
leted |
|
| Calculation
star |
ted |
| Stretch: |
0.1535 |
| Bend: |
0.284 |
| Stretch-Bend: |
0.0532 |
| Torsion: |
1.4285 |
| Non-1,4 VDW: |
-0.301 |
| 1,4 VDW: |
2.5589 |
| Total: |
4.177 |
|
| Calculation
comp |
leted |
|
| Calculation
star |
ted |
| Stretch: |
0.1535 |
| Bend: |
0.284 |
| Stretch-Bend: |
0.0532 |
| Torsion: |
2.3623 |
| Non-1,4 VDW: |
-0.1943 |
| 1,4 VDW: |
2.9743 |
| Total: |
5.6329 |
|
| Calculation
comp |
leted |
|
| Calculation
star |
ted |
| Stretch: |
0.1535 |
| Bend: |
0.284 |
| Stretch-Bend: |
0.0532 |
| Torsion: |
1.1394 |
| Non-1,4 VDW: |
-0.2441 |
| 1,4 VDW: |
2.5116 |
| Total: |
3.8975 |
|
| Calculation
comp |
leted |
| Calculation
comp |
leted |
|
|