COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.837  -0.115   0.473  1.00  0.00           N  
HETATM    2  C   UNL     1       1.542   0.050   0.806  1.00  0.00           C  
HETATM    3  C   UNL     1       0.661   0.741  -1.406  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.357   0.403  -2.498  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.242   1.421  -3.634  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.149  -0.335   0.447  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.732  -1.465   0.079  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.025  -1.066   0.788  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.734   0.014   1.831  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.133   1.237   1.136  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.835   0.847   0.429  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.133   1.785   0.117  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.459   0.712  -0.922  1.00  0.00           C  
HETATM   14  C   UNL     1       3.810  -2.575   0.146  1.00  0.00           C  
HETATM   15  C   UNL     1       5.876  -3.285  -0.643  1.00  0.00           C  
HETATM   16  C   UNL     1       6.072  -3.015   0.865  1.00  0.00           C  
HETATM   17  C   UNL     1       4.818  -2.175   1.201  1.00  0.00           C  
HETATM   18  C   UNL     1       5.132  -0.681   1.101  1.00  0.00           C  
HETATM   19  C   UNL     1       3.886   0.128   1.467  1.00  0.00           C  
HETATM   20  C   UNL     1       4.233   1.618   1.488  1.00  0.00           C  
HETATM   21  C   UNL     1       0.463  -0.200  -0.216  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.077  -1.000  -3.040  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.944  -0.562  -0.109  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.285  -1.024  -0.140  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.561  -0.645   0.619  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.029  -0.527  -0.234  1.00  0.00           C  
HETATM   27  N   UNL     1       4.429  -3.200  -0.871  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.849   0.046   0.388  1.00  0.00           N  
HETATM   29  O   UNL     1       2.617  -2.368   0.212  1.00  0.00           O  
HETATM   30  O   UNL     1       3.102   2.364   1.942  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.844  -1.314  -1.058  1.00  0.00           O  
HETATM   32  O   UNL     1       1.244   0.399   1.929  1.00  0.00           O  
HETATM   33  H   UNL     1       3.075  -0.398  -0.424  1.00  0.00           H  
HETATM   34  H   UNL     1       1.670   0.620  -1.801  1.00  0.00           H  
HETATM   35  H   UNL     1       0.518   1.772  -1.083  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.363   0.438  -2.079  1.00  0.00           H  
HETATM   37  H   UNL     1       0.763   1.387  -4.053  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.968   1.181  -4.412  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.442   2.421  -3.248  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.538  -2.526   0.254  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.832  -1.297  -0.993  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.451  -1.940   1.284  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.667   0.301   2.322  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.041  -0.368   2.577  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.921   2.007   1.882  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.914   1.072  -0.634  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.008   1.422   0.852  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.048   2.083   0.631  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.702   2.654  -0.382  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.199   1.105  -1.624  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.558   0.447  -1.474  1.00  0.00           H  
HETATM   52  H   UNL     1       6.396  -2.530  -1.232  1.00  0.00           H  
HETATM   53  H   UNL     1       6.241  -4.280  -0.898  1.00  0.00           H  
HETATM   54  H   UNL     1       6.080  -3.947   1.431  1.00  0.00           H  
HETATM   55  H   UNL     1       6.984  -2.445   1.044  1.00  0.00           H  
HETATM   56  H   UNL     1       4.447  -2.420   2.196  1.00  0.00           H  
HETATM   57  H   UNL     1       5.941  -0.433   1.788  1.00  0.00           H  
HETATM   58  H   UNL     1       5.435  -0.440   0.082  1.00  0.00           H  
HETATM   59  H   UNL     1       3.531  -0.177   2.451  1.00  0.00           H  
HETATM   60  S   UNL     1       4.682   2.159  -0.184  1.00  0.00           S  
HETATM   61  H   UNL     1       5.073   1.786   2.162  1.00  0.00           H  
HETATM   62  H   UNL     1       0.518  -1.234  -0.557  1.00  0.00           H  
HETATM   63  H   UNL     1       0.929  -1.034  -3.458  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.159  -1.725  -2.230  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.803  -1.240  -3.817  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.385  -0.733  -1.186  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.130  -2.101  -0.076  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.420  -0.860   1.679  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.233  -1.296  -0.980  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.958  -0.266   0.275  1.00  0.00           H  
HETATM   71  H   UNL     1       3.977  -3.549  -1.655  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.928   0.647   1.146  1.00  0.00           H  
HETATM   73  H   UNL     1       2.316   2.262   1.389  1.00  0.00           H  
HETATM   74  O   UNL     1       5.914   1.573  -0.583  1.00  0.00           O  
HETATM   75  O   UNL     1       3.547   2.131  -1.039  1.00  0.00           O  
HETATM   76  O   UNL     1       5.002   3.639  -0.032  1.00  0.00           O  
HETATM   77  H   UNL     1       5.262   4.072  -0.856  1.00  0.00           H  
CONECT    1    2   19   33                                            
CONECT    2   21    1   32   32                                       
CONECT    3   21    4   34   35                                       
CONECT    4    5    3   22   36                                       
CONECT    5    4   37   38   39                                       
CONECT    6   24   23                                                 
CONECT    7   25    8   40   41                                       
CONECT    8    7   26    9   42                                       
CONECT    9    8   10   43   44                                       
CONECT   10   11    9   12   45                                       
CONECT   11   25   10   46   47                                       
CONECT   12   13   10   48   49                                       
CONECT   13   26   12   50   51                                       
CONECT   14   29   29   27   17                                       
CONECT   15   27   16   52   53                                       
CONECT   16   17   15   54   55                                       
CONECT   17   14   18   16   56                                       
CONECT   18   17   19   57   58                                       
CONECT   19   18    1   20   59                                       
CONECT   20   19   30   60   61                                       
CONECT   21   28    2    3   62                                       
CONECT   22    4   63   64   65                                       
CONECT   23   31   31    6   28                                       
CONECT   24    6   25   66   67                                       
CONECT   25   24    7   11   68                                       
CONECT   26    8   13   69   70                                       
CONECT   27   14   15   71                                            
CONECT   28   23   21   72                                            
CONECT   29   14   14                                                 
CONECT   30   20   73                                                 
CONECT   31   23   23                                                 
CONECT   32    2    2                                                 
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20   74   74   75                                       
CONECT   60   75   76                                                 
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   30                                                      
CONECT   74   60   60                                                 
CONECT   75   60   60                                                 
CONECT   76   60   77                                                 
CONECT   77   76                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
