Degree |
Torsion |
non-1,4 VDW |
1,4 VDW |
Total |
|
|
|
|
|
|
|
|
|
|
|
0 |
0.0096 |
-0.4385 |
2.3952 |
2.5474 |
|
15 |
0.2983 |
-0.3926 |
2.511 |
2.511 |
|
30 |
1.0823 |
-0.2949 |
2.8301 |
4.1985 |
|
45 |
1.9224 |
-0.2359 |
3.1742 |
5.4417 |
|
60 |
2.3559 |
-0.2446 |
3.3339 |
6.0262 |
|
75 |
2.161 |
-0.3012 |
3.2082 |
5.6491 |
|
90 |
1.4805 |
-0.3459 |
2.8831 |
4.5987 |
|
105 |
0.7329 |
-0.1463 |
2.5659 |
3.7335 |
|
120 |
0.3646 |
0.5768 |
2.4495 |
3.9718 |
|
135 |
0.5887 |
1.4797 |
2.6177 |
5.267 |
|
150 |
1.2635 |
2.1005 |
3.0105 |
6.9556 |
|
165 |
1.9807 |
2.9426 |
3.4296 |
8.9339 |
|
180 |
2.3091 |
3.618 |
3.6262 |
10.1343 |
|
195 |
2.0519 |
3.0635 |
3.4725 |
9.1689 |
|
210 |
1.3633 |
2.1506 |
3.0691 |
7.1639 |
|
225 |
0.6568 |
1.5266 |
2.65921 |
5.4237 |
|
240 |
0.3595 |
0.6757 |
2.4556 |
4.0717 |
|
255 |
0.6565 |
-0.0882 |
2.5372 |
3.6866 |
|
270 |
1.3779 |
-0.3398 |
2.8374 |
4.4565 |
|
285 |
2.094 |
-0.3091 |
3.174 |
5.5399 |
|
300 |
2.367 |
-0.2518 |
3.3337 |
6.0299 |
|
315 |
2.0093 |
-0.2387 |
3.2088 |
5.5603 |
|
330 |
1.1982 |
-0.2896 |
2.8776 |
4.3672 |
|
345 |
0.3789 |
-0.3847 |
2.5435 |
3.1187 |
|
360 |
0.0097 |
-0.4385 |
2.3952 |
2.5474 |
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|