COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.992   0.685  -0.522  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.903  -0.347  -0.270  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.452  -1.607   0.092  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.651   0.464  -0.421  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.178  -0.802  -0.063  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.085  -1.846   0.193  1.00  0.00           C  
HETATM    7  N   UNL     1      -2.341  -2.953   0.517  1.00  0.00           N  
HETATM    8  N   UNL     1      -0.982  -2.625   0.470  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.836  -1.365   0.132  1.00  0.00           C  
HETATM   10  C   UNL     1       0.444  -0.646  -0.024  1.00  0.00           C  
HETATM   11  N   UNL     1       0.684   0.646   0.386  1.00  0.00           N  
HETATM   12  C   UNL     1       1.566  -1.159  -0.589  1.00  0.00           C  
HETATM   13  C   UNL     1       2.585  -0.112  -0.539  1.00  0.00           C  
HETATM   14  C   UNL     1       1.982   0.997   0.085  1.00  0.00           C  
HETATM   15  C   UNL     1       2.725   2.157   0.277  1.00  0.00           C  
HETATM   16  C   UNL     1       4.037   2.208  -0.142  1.00  0.00           C  
HETATM   17  C   UNL     1       4.627   1.112  -0.756  1.00  0.00           C  
HETATM   18  C   UNL     1       3.918  -0.038  -0.956  1.00  0.00           C  
HETATM   19  C   UNL     1       6.064   1.192  -1.206  1.00  0.00           C  
HETATM   20  N   UNL     1       6.943   0.748  -0.117  1.00  0.00           N  
HETATM   21  C   UNL     1       8.288   0.617  -0.688  1.00  0.00           C  
HETATM   22  C   UNL     1       9.265   0.148   0.392  1.00  0.00           C  
HETATM   23  C   UNL     1       8.825  -1.225   0.908  1.00  0.00           C  
HETATM   24  C   UNL     1       7.376  -1.132   1.396  1.00  0.00           C  
HETATM   25  C   UNL     1       6.498  -0.596   0.264  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.360  -0.089  -0.385  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.057   1.060   0.032  1.00  0.00           C  
HETATM   28  N   UNL     1      -8.316   0.844  -0.269  1.00  0.00           N  
HETATM   29  N   UNL     1      -8.422  -0.316  -0.814  1.00  0.00           N  
HETATM   30  N   UNL     1      -7.277  -0.896  -0.893  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.476   2.289   0.683  1.00  0.00           C  
HETATM   32  O   UNL     1      -6.487   2.125   2.103  1.00  0.00           O  
HETATM   33  H   UNL     1      -4.354   1.665  -0.799  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.158  -2.401   0.286  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.954   1.265  -0.617  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.701  -3.825   0.743  1.00  0.00           H  
HETATM   37  H   UNL     1       0.037   1.222   0.822  1.00  0.00           H  
HETATM   38  H   UNL     1       1.684  -2.151  -0.999  1.00  0.00           H  
HETATM   39  H   UNL     1       2.274   3.015   0.754  1.00  0.00           H  
HETATM   40  H   UNL     1       4.611   3.110   0.008  1.00  0.00           H  
HETATM   41  H   UNL     1       4.384  -0.886  -1.434  1.00  0.00           H  
HETATM   42  H   UNL     1       6.208   0.550  -2.075  1.00  0.00           H  
HETATM   43  H   UNL     1       6.305   2.221  -1.471  1.00  0.00           H  
HETATM   44  H   UNL     1       8.268  -0.111  -1.499  1.00  0.00           H  
HETATM   45  H   UNL     1       8.613   1.582  -1.076  1.00  0.00           H  
HETATM   46  H   UNL     1      10.267   0.075  -0.031  1.00  0.00           H  
HETATM   47  H   UNL     1       9.269   0.863   1.215  1.00  0.00           H  
HETATM   48  H   UNL     1       8.893  -1.956   0.102  1.00  0.00           H  
HETATM   49  H   UNL     1       9.470  -1.529   1.733  1.00  0.00           H  
HETATM   50  H   UNL     1       7.027  -2.121   1.691  1.00  0.00           H  
HETATM   51  H   UNL     1       7.322  -0.456   2.250  1.00  0.00           H  
HETATM   52  H   UNL     1       5.461  -0.553   0.599  1.00  0.00           H  
HETATM   53  H   UNL     1       6.572  -1.260  -0.598  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.255  -0.702  -1.124  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.073   3.160   0.413  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.450   2.430   0.342  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.108   2.931   2.480  1.00  0.00           H  
CONECT    1    2    4    4   33                                       
CONECT    2    1    3    3   26                                       
CONECT    3    2    2    6   34                                       
CONECT    4    1    1    5   35                                       
CONECT    5    4    6    6    9                                       
CONECT    6    3    5    5    7                                       
CONECT    7    6    8   36                                            
CONECT    8    7    9    9                                            
CONECT    9    5    8    8   10                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   14   37                                            
CONECT   12   10   10   13   38                                       
CONECT   13   12   14   14   18                                       
CONECT   14   11   13   13   15                                       
CONECT   15   14   16   16   39                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   18   18   19                                       
CONECT   18   13   17   17   41                                       
CONECT   19   17   20   42   43                                       
CONECT   20   19   21   25                                            
CONECT   21   20   22   44   45                                       
CONECT   22   21   23   46   47                                       
CONECT   23   22   24   48   49                                       
CONECT   24   23   25   50   51                                       
CONECT   25   20   24   52   53                                       
CONECT   26    2   27   30   30                                       
CONECT   27   26   28   28   31                                       
CONECT   28   27   27   29                                            
CONECT   29   28   30   54                                            
CONECT   30   26   26   29                                            
CONECT   31   27   32   55   56                                       
CONECT   32   31   57                                                 
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    7                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   19                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
