File size: 3,156 Bytes
20f7859
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
REMARK Flexibility Score: inf
REMARK Active torsions [ 5 ] -> [ 5 ]
ROOT
ATOM      1  N1  LIG L   1       7.093  45.333  64.279  1.00  0.00    -0.227 N 
ATOM      2  O1  LIG L   1       6.414  44.967  62.561  1.00  0.00    -0.268 OA
ATOM      3  N2  LIG L   1       6.003  43.478  61.898  1.00  0.00    -0.266 N 
ATOM      4  N3  LIG L   1       6.905  45.394  64.365  1.00  0.00    -0.161 NA
ATOM      5  C1  LIG L   1       6.221  44.474  62.681  1.00  0.00     0.270 C 
ATOM      6  C2  LIG L   1       6.163  45.330  63.993  1.00  0.00     0.151 A 
ATOM      7  C3  LIG L   1       6.250  44.787  63.239  1.00  0.00     0.017 A 
ATOM      8  C4  LIG L   1       6.543  44.932  63.482  1.00  0.00     0.133 A 
ATOM      9  C5  LIG L   1       5.536  44.348  62.502  1.00  0.00     0.059 C 
ATOM     10  C6  LIG L   1       5.821  43.328  62.203  1.00  0.00     0.119 C 
ENDROOT
BRANCH    1   11
ATOM     11  C7  LIG L   1       7.905  45.700  65.067  1.00  0.00     0.066 A 
ATOM     12  C8  LIG L   1      10.322  45.873  66.325  1.00  0.00     0.120 A 
ATOM     13  C9  LIG L   1       9.994  46.948  65.274  1.00  0.00     0.048 A 
ATOM     14 C10  LIG L   1       9.489  44.893  66.588  1.00  0.00     0.048 A 
ATOM     15 C11  LIG L   1       8.774  46.759  64.761  1.00  0.00     0.031 A 
ATOM     16 C12  LIG L   1       8.324  44.979  65.910  1.00  0.00     0.031 A 
BRANCH   12   17
ATOM     17  O2  LIG L   1      11.587  45.719  66.463  1.00  0.00    -0.495 OA
ATOM     18 C13  LIG L   1      12.239  44.727  66.854  1.00  0.00     0.277 C 
ENDBRANCH   12   17
ENDBRANCH    1   11
BRANCH    6   19
ATOM     19 C14  LIG L   1       5.040  45.828  64.369  1.00  0.00     0.262 C 
ATOM     20  O3  LIG L   1       4.201  45.949  63.872  1.00  0.00    -0.269 OA
ATOM     21  N4  LIG L   1       4.887  46.200  65.291  1.00  0.00    -0.324 N 
ATOM     22  H1  LIG L   1       4.008  46.571  65.533  1.00  0.00     0.145 HD
ATOM     23  H2  LIG L   1       5.617  46.193  65.951  1.00  0.00     0.145 HD
ENDBRANCH    6   19
BRANCH    3   24
ATOM     24 C15  LIG L   1       6.141  42.602  60.785  1.00  0.00     0.037 A 
ATOM     25 C16  LIG L   1       6.326  41.341  61.111  1.00  0.00     0.025 A 
ATOM     26 C17  LIG L   1       6.656  43.020  59.458  1.00  0.00     0.025 A 
ATOM     27 C18  LIG L   1       6.987  40.479  60.229  1.00  0.00     0.025 A 
ATOM     28 C19  LIG L   1       7.445  41.985  58.553  1.00  0.00     0.025 A 
ATOM     29 C20  LIG L   1       7.545  40.765  59.063  1.00  0.00     0.036 A 
BRANCH   29   30
ATOM     30  N5  LIG L   1       8.269  40.244  58.713  1.00  0.00    -0.271 N 
ATOM     31 C21  LIG L   1       7.854  39.928  58.002  1.00  0.00     0.220 C 
ATOM     32 C22  LIG L   1       9.327  39.650  58.586  1.00  0.00     0.113 C 
ATOM     33  O4  LIG L   1       7.082  40.292  58.050  1.00  0.00    -0.275 OA
ATOM     34 C23  LIG L   1       8.332  39.106  57.245  1.00  0.00     0.096 C 
ATOM     35 C24  LIG L   1       9.827  38.903  58.224  1.00  0.00     0.020 C 
ATOM     36 C25  LIG L   1       9.455  39.057  57.157  1.00  0.00     0.011 C 
ENDBRANCH   29   30
ENDBRANCH    3   24
TORSDOF 5