summaryrefslogtreecommitdiff
path: root/sim/src/tests/amino_acids/arg_l_aminoacid.pdb
blob: 27b14180d7cf0adfa56c7af233fe7a5d4348082b (plain)
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
53
54
55
56
COMPND    arg.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
ATOM      1  N   UNK     0       0.973   2.026   1.281  1.00  0.00           N  
ATOM      2  C   UNK     0       1.600   0.761   1.673  1.00  0.00           C  
ATOM      3  C   UNK     0       2.908   0.568   0.909  1.00  0.00           C  
ATOM      4  O   UNK     0       3.334  -0.482   0.482  1.00  0.00           O  
ATOM      5  O   UNK     0       3.608   1.726   0.815  1.00  0.00           O  
ATOM      6  C   UNK     0       0.656  -0.430   1.459  1.00  0.00           C  
ATOM      7  C   UNK     0       0.052  -0.528   0.052  1.00  0.00           C  
ATOM      8  C   UNK     0      -0.663  -1.870  -0.165  1.00  0.00           C  
ATOM      9  N   UNK     0      -1.247  -2.042  -1.499  1.00  0.00           N  
ATOM     10  C   UNK     0      -2.344  -1.298  -1.939  1.00  0.00           C  
ATOM     11  N   UNK     0      -2.546  -0.843  -3.123  1.00  0.00           N  
ATOM     12  N   UNK     0      -3.308  -1.073  -0.950  1.00  0.00           N  
ATOM     13  H   UNK     0       1.631   2.790   1.404  1.00  0.00           H  
ATOM     14  H   UNK     0       0.177   2.210   1.886  1.00  0.00           H  
ATOM     15  H   UNK     0       1.917   0.744   2.737  1.00  0.00           H  
ATOM     16  H   UNK     0      -0.148  -0.366   2.206  1.00  0.00           H  
ATOM     17  H   UNK     0       1.219  -1.342   1.687  1.00  0.00           H  
ATOM     18  H   UNK     0       0.846  -0.427  -0.698  1.00  0.00           H  
ATOM     19  H   UNK     0      -0.652   0.291  -0.117  1.00  0.00           H  
ATOM     20  H   UNK     0       0.045  -2.694  -0.018  1.00  0.00           H  
ATOM     21  H   UNK     0       4.431   1.510   0.344  1.00  0.00           H  
ATOM     22  H   UNK     0      -1.449  -2.000   0.587  1.00  0.00           H  
ATOM     23  H   UNK     0      -0.545  -2.128  -2.225  1.00  0.00           H  
ATOM     24  H   UNK     0      -1.711  -0.950  -3.701  1.00  0.00           H  
ATOM     25  H   UNK     0      -4.133  -0.663  -1.369  1.00  0.00           H  
ATOM     26  H   UNK     0      -3.534  -1.896  -0.402  1.00  0.00           H  
CONECT    1   13    2   14                                            
CONECT    2    3    1    6   15                                       
CONECT    3    4    5    2                                            
CONECT    4    3                                                      
CONECT    5   21    3                                                 
CONECT    6    7    2   17   16                                       
CONECT    7   18    8   19    6                                       
CONECT    8    9   20    7   22                                       
CONECT    9   23   10    8                                            
CONECT   10   11    9   12                                            
CONECT   11   24   10                                                 
CONECT   12   10   25   26                                            
CONECT   13    1                                                      
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    6                                                      
CONECT   17    6                                                      
CONECT   18    7                                                      
CONECT   19    7                                                      
CONECT   20    8                                                      
CONECT   21    5                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24   11                                                      
CONECT   25   12                                                      
CONECT   26   12                                                      
MASTER        0    0    0    0    0    0    0    0   26    0   26    0
END