COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.977  -4.981   0.799  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.129  -4.793  -0.336  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.239  -3.768  -0.278  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.386  -3.530  -1.347  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.480  -2.491  -1.292  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.188  -2.957   0.848  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.286  -1.916   0.910  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.423  -1.678  -0.160  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.453  -0.562  -0.096  1.00  0.00           C  
HETATM   10  C   UNL     1       1.013  -0.671  -0.075  1.00  0.00           C  
HETATM   11  C   UNL     1       1.900  -1.749  -0.103  1.00  0.00           C  
HETATM   12  C   UNL     1       3.247  -1.521  -0.071  1.00  0.00           C  
HETATM   13  C   UNL     1       3.740  -0.225  -0.008  1.00  0.00           C  
HETATM   14  C   UNL     1       5.229   0.005   0.028  1.00  0.00           C  
HETATM   15  C   UNL     1       5.912  -1.180   0.713  1.00  0.00           C  
HETATM   16  C   UNL     1       5.294  -1.395   2.096  1.00  0.00           C  
HETATM   17  C   UNL     1       5.759   0.143  -1.401  1.00  0.00           C  
HETATM   18  C   UNL     1       7.284   0.252  -1.371  1.00  0.00           C  
HETATM   19  O   UNL     1       5.508   1.202   0.756  1.00  0.00           O  
HETATM   20  C   UNL     1       2.882   0.853   0.021  1.00  0.00           C  
HETATM   21  C   UNL     1       1.507   0.644  -0.012  1.00  0.00           C  
HETATM   22  N   UNL     1       0.426   1.500   0.004  1.00  0.00           N  
HETATM   23  C   UNL     1      -0.746   0.785  -0.052  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.103   1.365  -0.054  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.416   2.751   0.001  1.00  0.00           C  
HETATM   26  S   UNL     1      -1.683   4.348   0.088  1.00  0.00           S  
HETATM   27  C   UNL     1      -3.262   5.117   0.090  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.221   4.205   0.029  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.787   2.873  -0.022  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.300   1.586  -0.090  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.229   0.690  -0.113  1.00  0.00           N  
HETATM   32  H   UNL     1      -5.574  -4.083   0.959  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.638  -5.829   0.622  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.366  -5.173   1.681  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.431  -4.160  -2.224  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.817  -2.308  -2.124  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.857  -3.142   1.676  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.247  -1.286   1.787  1.00  0.00           H  
HETATM   39  H   UNL     1       1.522  -2.760  -0.151  1.00  0.00           H  
HETATM   40  H   UNL     1       3.932  -2.355  -0.093  1.00  0.00           H  
HETATM   41  H   UNL     1       5.774  -2.078   0.110  1.00  0.00           H  
HETATM   42  H   UNL     1       6.977  -0.974   0.819  1.00  0.00           H  
HETATM   43  H   UNL     1       4.229  -1.601   1.990  1.00  0.00           H  
HETATM   44  H   UNL     1       5.781  -2.239   2.584  1.00  0.00           H  
HETATM   45  H   UNL     1       5.433  -0.497   2.699  1.00  0.00           H  
HETATM   46  H   UNL     1       5.468  -0.733  -1.982  1.00  0.00           H  
HETATM   47  H   UNL     1       5.339   1.038  -1.860  1.00  0.00           H  
HETATM   48  H   UNL     1       7.575   1.127  -0.790  1.00  0.00           H  
HETATM   49  H   UNL     1       7.704  -0.644  -0.913  1.00  0.00           H  
HETATM   50  H   UNL     1       7.662   0.350  -2.389  1.00  0.00           H  
HETATM   51  H   UNL     1       5.106   1.996   0.378  1.00  0.00           H  
HETATM   52  H   UNL     1       3.276   1.857   0.069  1.00  0.00           H  
HETATM   53  H   UNL     1       0.485   2.468   0.045  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.428   6.184   0.135  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.268   4.470   0.020  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.240   1.349  -0.120  1.00  0.00           H  
CONECT    1    2   32   33   34                                       
CONECT    2    1    3                                                 
CONECT    3    6    2    4    4                                       
CONECT    4    3    3    5   35                                       
CONECT    5    8    8    4   36                                       
CONECT    6    7    7    3   37                                       
CONECT    7    6    6    8   38                                       
CONECT    8    7    9    5    5                                       
CONECT    9   23   23    8   10                                       
CONECT   10    9   21   21   11                                       
CONECT   11   10   12   12   39                                       
CONECT   12   11   11   13   40                                       
CONECT   13   20   20   12   14                                       
CONECT   14   13   17   19   15                                       
CONECT   15   14   16   41   42                                       
CONECT   16   15   43   44   45                                       
CONECT   17   18   14   46   47                                       
CONECT   18   17   48   49   50                                       
CONECT   19   14   51                                                 
CONECT   20   21   13   13   52                                       
CONECT   21   22   10   10   20                                       
CONECT   22   23   21   53                                            
CONECT   23   24   22    9    9                                       
CONECT   24   31   31   25   23                                       
CONECT   25   29   29   26   24                                       
CONECT   26   27   25                                                 
CONECT   27   28   28   26   54                                       
CONECT   28   27   27   29   55                                       
CONECT   29   28   30   25   25                                       
CONECT   30   29   31   56                                            
CONECT   31   30   24   24                                            
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
