summaryrefslogtreecommitdiff
path: root/sim/src/tests/heteroatom_organics/ADAMframe_PH_Cs.pdb
blob: 58fde4565306d83bd6afe86ac6c3f0cc47268eba (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
COMPND    ADAMframe_PH_Cs.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
ATOM      1  C   UNK     0      -1.220  -0.411   1.283  1.00  0.00           C  
ATOM      2  C   UNK     0      -1.220  -0.411  -1.283  1.00  0.00           C  
ATOM      3  C   UNK     0       0.081   0.413   1.387  1.00  0.00           C  
ATOM      4  C   UNK     0       0.081   0.413  -1.387  1.00  0.00           C  
ATOM      5  C   UNK     0      -1.248  -1.271   0.000  1.00  0.00           C  
ATOM      6  C   UNK     0       1.311  -0.519   1.285  1.00  0.00           C  
ATOM      7  C   UNK     0       1.311  -0.519  -1.285  1.00  0.00           C  
ATOM      8  P   UNK     0       0.238   1.688   0.000  1.00  0.00           P  
ATOM      9  C   UNK     0       1.266  -1.380   0.000  1.00  0.00           C  
ATOM     10  C   UNK     0      -0.032  -2.217   0.000  1.00  0.00           C  
ATOM     11  H   UNK     0      -2.093   0.252   1.322  1.00  0.00           H  
ATOM     12  H   UNK     0      -2.093   0.252  -1.322  1.00  0.00           H  
ATOM     13  H   UNK     0      -1.296  -1.080   2.154  1.00  0.00           H  
ATOM     14  H   UNK     0      -1.296  -1.080  -2.154  1.00  0.00           H  
ATOM     15  H   UNK     0       0.109   0.959   2.336  1.00  0.00           H  
ATOM     16  H   UNK     0       0.109   0.959  -2.336  1.00  0.00           H  
ATOM     17  H   UNK     0      -2.174  -1.862   0.000  1.00  0.00           H  
ATOM     18  H   UNK     0       2.243   0.062   1.324  1.00  0.00           H  
ATOM     19  H   UNK     0       2.243   0.062  -1.324  1.00  0.00           H  
ATOM     20  H   UNK     0       1.326  -1.188   2.157  1.00  0.00           H  
ATOM     21  H   UNK     0       1.326  -1.188  -2.157  1.00  0.00           H  
ATOM     22  H   UNK     0      -1.111   2.160   0.000  1.00  0.00           H  
ATOM     23  H   UNK     0       2.134  -2.052   0.000  1.00  0.00           H  
ATOM     24  H   UNK     0      -0.059  -2.869   0.883  1.00  0.00           H  
ATOM     25  H   UNK     0      -0.059  -2.869  -0.883  1.00  0.00           H  
CONECT    1    5   11    3   13                                       
CONECT    2   14    4   12    5                                       
CONECT    3    8    1    6   15                                       
CONECT    4   16    7    2    8                                       
CONECT    5    2   17   10    1                                       
CONECT    6    9   18    3   20                                       
CONECT    7   21    4   19    9                                       
CONECT    8    4   22    3                                            
CONECT    9    7   10   23    6                                       
CONECT   10   25    9    5   24                                       
CONECT   11    1                                                      
CONECT   12    2                                                      
CONECT   13    1                                                      
CONECT   14    2                                                      
CONECT   15    3                                                      
CONECT   16    4                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    7                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   10                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END