4TZ4_ligand_S-Lenalidomide.pdbqt 2.06 KB
Newer Older
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
REMARK  2 active torsions:
REMARK  status: ('A' for Active; 'I' for Inactive)
REMARK    1  A    between atoms: N1_1  and  C1_2 
REMARK    2  A    between atoms: N2_9  and  C8_10 
ROOT
HETATM    1  C1  UNL     1      -0.680   2.379   2.354  1.00  0.00     0.034 A 
HETATM    2  C2  UNL     1      -1.378   3.563   2.041  1.00  0.00     0.029 A 
HETATM    3  C3  UNL     1      -2.338   3.574   1.010  1.00  0.00     0.003 A 
HETATM    4  C4  UNL     1      -2.609   2.404   0.284  1.00  0.00     0.018 A 
HETATM    5  C5  UNL     1      -1.902   1.249   0.614  1.00  0.00     0.050 A 
HETATM    6  C6  UNL     1      -0.967   1.225   1.609  1.00  0.00     0.010 A 
HETATM    7  C7  UNL     1      -0.386  -0.151   1.744  1.00  0.00     0.288 A 
HETATM    8  N2  UNL     1      -1.022  -0.972   0.669  1.00  0.00     0.012 N 
HETATM    9  C13 UNL     1      -1.962  -0.073   0.052  1.00  0.00     0.351 A 
HETATM   10  O3  UNL     1      -2.763  -0.422  -0.856  1.00  0.00    -0.260 OA
HETATM   11  H8  UNL     1      -1.573  -1.750   1.106  1.00  0.00     0.292 HD
ENDROOT
BRANCH   8  12
HETATM   12  C8  UNL     1      -0.062  -1.539  -0.321  1.00  0.00     0.290 C 
HETATM   13  C9  UNL     1       0.665  -0.447  -1.164  1.00  0.00     0.053 C 
HETATM   14  C10 UNL     1       1.796  -1.039  -2.006  1.00  0.00     0.106 C 
HETATM   15  C11 UNL     1       2.781  -1.718  -1.109  1.00  0.00     0.224 C 
HETATM   16  O1  UNL     1       4.016  -1.629  -1.337  1.00  0.00    -0.273 OA
HETATM   17  N3  UNL     1       2.311  -2.470   0.012  1.00  0.00    -0.296 N 
HETATM   18  C12 UNL     1       0.920  -2.483   0.354  1.00  0.00     0.256 C 
HETATM   19  H14 UNL     1       2.986  -3.036   0.573  1.00  0.00     0.171 HD
HETATM   20  O2  UNL     1       0.503  -3.314   1.205  1.00  0.00    -0.271 OA
ENDBRANCH   8  12
BRANCH   1  21
HETATM   21  N1  UNL     1       0.291   2.363   3.404  1.00  0.00    -0.399 N 
HETATM   22  H1  UNL     1       0.497   3.229   3.950  1.00  0.00     0.156 HD
HETATM   23  H2  UNL     1       0.810   1.491   3.647  1.00  0.00     0.156 HD
ENDBRANCH   1  21
TORSDOF 2