COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.131   0.846  -0.103  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.293   1.533  -0.399  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.281   2.914  -0.467  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.108   3.607  -0.238  1.00  0.00           C  
HETATM    5  C   UNL     1       1.054   2.920   0.060  1.00  0.00           C  
HETATM    6  C   UNL     1       1.043   1.540   0.126  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.461   0.289  -0.470  1.00  0.00           N  
HETATM    8  C   UNL     1      -6.597  -0.343  -0.721  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.475   0.169  -1.670  1.00  0.00           N  
HETATM   10  C   UNL     1      -6.920  -1.516  -0.045  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.038  -2.014   0.896  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.857  -1.321   1.130  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.601  -0.164   0.423  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.351  -3.281   1.650  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.321   0.592   0.672  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.572   0.777  -0.649  1.00  0.00           C  
HETATM   17  N   UNL     1       5.174   0.146   0.490  1.00  0.00           N  
HETATM   18  C   UNL     1       6.246  -0.575   0.782  1.00  0.00           C  
HETATM   19  N   UNL     1       7.052  -0.208   1.853  1.00  0.00           N  
HETATM   20  C   UNL     1       6.572  -1.697   0.027  1.00  0.00           C  
HETATM   21  C   UNL     1       5.761  -2.052  -1.036  1.00  0.00           C  
HETATM   22  C   UNL     1       4.646  -1.269  -1.309  1.00  0.00           C  
HETATM   23  C   UNL     1       4.382  -0.169  -0.518  1.00  0.00           C  
HETATM   24  C   UNL     1       6.079  -3.259  -1.879  1.00  0.00           C  
HETATM   25  C   UNL     1       3.175   0.684  -0.809  1.00  0.00           C  
HETATM   26  C   UNL     1       2.311   0.791   0.449  1.00  0.00           C  
HETATM   27  N   UNL     1       3.052   1.511   1.493  1.00  0.00           N  
HETATM   28  H   UNL     1      -0.140  -0.232  -0.045  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.189   3.451  -0.699  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.099   4.686  -0.291  1.00  0.00           H  
HETATM   31  H   UNL     1       1.971   3.462   0.238  1.00  0.00           H  
HETATM   32  H   UNL     1      -7.254   0.986  -2.144  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.308  -0.290  -1.858  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.848  -2.029  -0.252  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.147  -1.684   1.859  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.958  -4.137   1.102  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.889  -3.239   2.637  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.431  -3.382   1.758  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.553   1.568   1.098  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.698   0.031   1.368  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.196   1.338  -1.345  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.340  -0.199  -1.074  1.00  0.00           H  
HETATM   43  H   UNL     1       6.828   0.573   2.383  1.00  0.00           H  
HETATM   44  H   UNL     1       7.838  -0.733   2.071  1.00  0.00           H  
HETATM   45  H   UNL     1       7.447  -2.283   0.267  1.00  0.00           H  
HETATM   46  H   UNL     1       3.993  -1.518  -2.132  1.00  0.00           H  
HETATM   47  H   UNL     1       5.591  -4.137  -1.456  1.00  0.00           H  
HETATM   48  H   UNL     1       5.719  -3.098  -2.895  1.00  0.00           H  
HETATM   49  H   UNL     1       7.158  -3.416  -1.896  1.00  0.00           H  
HETATM   50  H   UNL     1       3.498   1.679  -1.113  1.00  0.00           H  
HETATM   51  H   UNL     1       2.594   0.229  -1.611  1.00  0.00           H  
HETATM   52  H   UNL     1       2.061  -0.209   0.805  1.00  0.00           H  
HETATM   53  H   UNL     1       3.874   0.996   1.773  1.00  0.00           H  
HETATM   54  H   UNL     1       3.295   2.441   1.187  1.00  0.00           H  
CONECT    1    2    2    6   28                                       
CONECT    2    1    1    3   16                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    5   30                                       
CONECT    5    4    6    6   31                                       
CONECT    6    1    5    5   26                                       
CONECT    7    8    8   13                                            
CONECT    8    7    7    9   10                                       
CONECT    9    8   32   33                                            
CONECT   10    8   11   11   34                                       
CONECT   11   10   10   12   14                                       
CONECT   12   11   13   13   35                                       
CONECT   13    7   12   12   15                                       
CONECT   14   11   36   37   38                                       
CONECT   15   13   16   39   40                                       
CONECT   16    2   15   41   42                                       
CONECT   17   18   18   23                                            
CONECT   18   17   17   19   20                                       
CONECT   19   18   43   44                                            
CONECT   20   18   21   21   45                                       
CONECT   21   20   20   22   24                                       
CONECT   22   21   23   23   46                                       
CONECT   23   17   22   22   25                                       
CONECT   24   21   47   48   49                                       
CONECT   25   23   26   50   51                                       
CONECT   26    6   25   27   52                                       
CONECT   27   26   53   54                                            
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   12                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
