sim/src/tests/amino_acids/tyr_l_aminoacid.pdb


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

COMPND    tyr.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
ATOM      1  N   UNK     0       2.280   1.181   0.808  1.00  0.00           N  
ATOM      2  C   UNK     0       1.090   0.998   1.631  1.00  0.00           C  
ATOM      3  C   UNK     0       1.418   1.203   3.102  1.00  0.00           C  
ATOM      4  O   UNK     0       0.701   1.751   3.909  1.00  0.00           O  
ATOM      5  O   UNK     0       2.597   0.626   3.449  1.00  0.00           O  
ATOM      6  C   UNK     0       0.361  -0.379   1.482  1.00  0.00           C  
ATOM      7  C   UNK     0      -0.203  -0.584   0.096  1.00  0.00           C  
ATOM      8  C   UNK     0      -1.249  -0.889  -2.508  1.00  0.00           C  
ATOM      9  C   UNK     0      -1.450  -0.041  -0.257  1.00  0.00           C  
ATOM     10  C   UNK     0       0.505  -1.281  -0.890  1.00  0.00           C  
ATOM     11  C   UNK     0      -0.006  -1.437  -2.181  1.00  0.00           C  
ATOM     12  C   UNK     0      -1.974  -0.187  -1.536  1.00  0.00           C  
ATOM     13  O   UNK     0      -1.809  -1.006  -3.749  1.00  0.00           O  
ATOM     14  H   UNK     0       2.057   0.961  -0.160  1.00  0.00           H  
ATOM     15  H   UNK     0       3.009   0.539   1.108  1.00  0.00           H  
ATOM     16  H   UNK     0       0.371   1.785   1.380  1.00  0.00           H  
ATOM     17  H   UNK     0      -0.444  -0.425   2.227  1.00  0.00           H  
ATOM     18  H   UNK     0       1.076  -1.172   1.731  1.00  0.00           H  
ATOM     19  H   UNK     0      -2.025   0.502   0.489  1.00  0.00           H  
ATOM     20  H   UNK     0       1.468  -1.725  -0.648  1.00  0.00           H  
ATOM     21  H   UNK     0       0.560  -1.991  -2.927  1.00  0.00           H  
ATOM     22  H   UNK     0      -2.941   0.228  -1.801  1.00  0.00           H  
ATOM     23  H   UNK     0      -1.218  -1.519  -4.316  1.00  0.00           H  
ATOM     24  H   UNK     0       2.701   0.781   4.403  1.00  0.00           H  
CONECT    1   14   15    2                                            
CONECT    2    1   16    6    3                                       
CONECT    3    2    5    4                                            
CONECT    4    3                                                      
CONECT    5    3   24                                                 
CONECT    6    7    2   18   17                                       
CONECT    7   10    9    6                                            
CONECT    8   13   11   12                                            
CONECT    9   12    7   19                                            
CONECT   10   11   20    7                                            
CONECT   11   21    8   10                                            
CONECT   12    8   22    9                                            
CONECT   13   23    8                                                 
CONECT   14    1                                                      
CONECT   15    1                                                      
CONECT   16    2                                                      
CONECT   17    6                                                      
CONECT   18    6                                                      
CONECT   19    9                                                      
CONECT   20   10                                                      
CONECT   21   11                                                      
CONECT   22   12                                                      
CONECT   23   13                                                      
CONECT   24    5                                                      
MASTER        0    0    0    0    0    0    0    0   24    0   24    0
END