COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.336   2.499   0.006  1.00  0.00           C  
HETATM    2  C   UNL     1       4.115  -0.095   1.204  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.364   1.412   0.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.826   1.222   0.002  1.00  0.00           C  
HETATM    5  C   UNL     1       0.641  -0.943  -0.003  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.484  -1.069  -0.004  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.677  -3.683  -0.012  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.047  -5.168  -0.016  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.538   0.205   0.000  1.00  0.00           C  
HETATM   10  C   UNL     1       2.105  -0.584  -0.002  1.00  0.00           C  
HETATM   11  C   UNL     1       2.774  -0.423   1.197  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.285   3.342   0.008  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.164   2.710   0.006  1.00  0.00           N  
HETATM   14  C   UNL     1      -6.108   3.705   1.253  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.305  -0.040  -0.001  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.098   3.717  -1.245  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.793   2.884   0.001  1.00  0.00           C  
HETATM   18  S   UNL     1      -4.187  -2.685  -0.009  1.00  0.00           S  
HETATM   19  N   UNL     1      -1.822  -5.978  -0.018  1.00  0.00           N  
HETATM   20  N   UNL     1      -2.157  -0.966  -0.005  1.00  0.00           N  
HETATM   21  N   UNL     1      -0.162   0.282   0.000  1.00  0.00           N  
HETATM   22  C   UNL     1       4.793   0.080  -0.001  1.00  0.00           C  
HETATM   23  C   UNL     1       4.112  -0.078  -1.207  1.00  0.00           C  
HETATM   24  C   UNL     1       2.771  -0.406  -1.201  1.00  0.00           C  
HETATM   25  C   UNL     1       6.233   0.433   0.000  1.00  0.00           C  
HETATM   26  N   UNL     1       6.874   0.582   1.152  1.00  0.00           N  
HETATM   27  C   UNL     1       8.153   0.895   1.196  1.00  0.00           C  
HETATM   28  C   UNL     1       8.878   1.081   0.034  1.00  0.00           C  
HETATM   29  C   UNL     1       8.247   0.935  -1.193  1.00  0.00           C  
HETATM   30  C   UNL     1       6.904   0.600  -1.210  1.00  0.00           C  
HETATM   31  H   UNL     1       4.636   0.031   2.141  1.00  0.00           H  
HETATM   32  H   UNL     1       0.411  -1.526  -0.894  1.00  0.00           H  
HETATM   33  H   UNL     1       0.411  -1.530   0.886  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.090  -3.458   0.879  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.091  -3.453  -0.901  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.634  -5.398   0.874  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.634  -5.393  -0.906  1.00  0.00           H  
HETATM   38  H   UNL     1       2.247  -0.554   2.131  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.363   4.309   0.011  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.495   4.607   1.260  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.162   3.983   1.250  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.891   3.112   2.141  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.152   3.994  -1.249  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.484   4.618  -1.239  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.874   3.131  -2.137  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.407   1.982  -0.005  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.230  -5.741   0.764  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.040  -6.963  -0.021  1.00  0.00           H  
HETATM   49  H   UNL     1       0.275   1.148   0.002  1.00  0.00           H  
HETATM   50  H   UNL     1       4.631   0.061  -2.143  1.00  0.00           H  
HETATM   51  H   UNL     1       2.243  -0.529  -2.135  1.00  0.00           H  
HETATM   52  H   UNL     1       8.641   1.008   2.153  1.00  0.00           H  
HETATM   53  H   UNL     1       9.926   1.338   0.081  1.00  0.00           H  
HETATM   54  H   UNL     1       8.794   1.072  -2.115  1.00  0.00           H  
HETATM   55  H   UNL     1       6.382   0.479  -2.147  1.00  0.00           H  
CONECT    1   12   17    4    4                                       
CONECT    2   22   22   11   31                                       
CONECT    3   13   13    4    9                                       
CONECT    4    1    1    3   15                                       
CONECT    5   21   10   32   33                                       
CONECT    6   15   15   20   18                                       
CONECT    7   18    8   34   35                                       
CONECT    8    7   19   36   37                                       
CONECT    9    3   21   20   20                                       
CONECT   10   24    5   11   11                                       
CONECT   11   10   10    2   38                                       
CONECT   12   13    1   39                                            
CONECT   13   12    3    3                                            
CONECT   14   17   40   41   42                                       
CONECT   15    4    6    6                                            
CONECT   16   17   43   44   45                                       
CONECT   17    1   14   16   46                                       
CONECT   18    6    7                                                 
CONECT   19    8   47   48                                            
CONECT   20    9    9    6                                            
CONECT   21    9    5   49                                            
CONECT   22   23   25    2    2                                       
CONECT   23   24   24   22   50                                       
CONECT   24   23   23   10   51                                       
CONECT   25   30   22   26   26                                       
CONECT   26   25   25   27                                            
CONECT   27   28   28   26   52                                       
CONECT   28   29   27   27   53                                       
CONECT   29   30   30   28   54                                       
CONECT   30   29   29   25   55                                       
CONECT   31    2                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
