COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -1.411   3.115  -1.661  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.687   4.357  -2.028  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.858   4.915  -1.835  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.849   4.231  -1.243  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.603   2.898  -0.832  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.318   2.351  -1.067  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.572  -4.356  -0.407  1.00  0.00           C  
HETATM    8  C   UNL     1       7.268   1.387   4.237  1.00  0.00           C  
HETATM    9  C   UNL     1       7.273   3.172   2.489  1.00  0.00           C  
HETATM   10  C   UNL     1       9.384   1.952   3.034  1.00  0.00           C  
HETATM   11  N   UNL     1      11.420  -2.805  -1.978  1.00  0.00           N  
HETATM   12  O   UNL     1      -6.195   0.133  -0.331  1.00  0.00           O  
HETATM   13  O   UNL     1       3.934   0.547   0.337  1.00  0.00           O  
HETATM   14  C   UNL     1       8.002  -4.038  -1.425  1.00  0.00           C  
HETATM   15  C   UNL     1       9.312  -3.974  -1.857  1.00  0.00           C  
HETATM   16  C   UNL     1       7.465  -3.007  -0.678  1.00  0.00           C  
HETATM   17  C   UNL     1       1.657   0.960  -0.776  1.00  0.00           C  
HETATM   18  C   UNL     1       0.800  -1.236  -1.255  1.00  0.00           C  
HETATM   19  C   UNL     1       0.367   1.435  -0.647  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.490  -0.761  -1.127  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.087   4.068  -0.417  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.111   4.799  -1.022  1.00  0.00           C  
HETATM   23  C   UNL     1       9.559  -1.832  -0.791  1.00  0.00           C  
HETATM   24  C   UNL     1       6.297   0.611   1.236  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.619   2.164  -0.212  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.166  -0.057   0.953  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.083  -1.523   0.522  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.196  -4.455   1.584  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.642  -2.551   1.206  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.042  -3.714   0.905  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.488  -1.809   0.526  1.00  0.00           C  
HETATM   32  N   UNL     1       8.379  -0.081   1.347  1.00  0.00           N  
HETATM   33  N   UNL     1      -6.873   2.024   0.612  1.00  0.00           N  
HETATM   34  N   UNL     1       3.186  -0.859  -1.211  1.00  0.00           N  
HETATM   35  N   UNL     1       5.400  -0.913  -0.472  1.00  0.00           N  
HETATM   36  N   UNL     1      -2.018   1.058  -0.691  1.00  0.00           N  
HETATM   37  C   UNL     1      -7.007   0.705   0.365  1.00  0.00           C  
HETATM   38  C   UNL     1       4.165  -0.375  -0.421  1.00  0.00           C  
HETATM   39  C   UNL     1      10.095  -2.870  -1.541  1.00  0.00           C  
HETATM   40  C   UNL     1       1.877  -0.377  -1.081  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.710   0.576  -0.822  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.851   2.751  -0.009  1.00  0.00           C  
HETATM   43  C   UNL     1       8.243  -1.901  -0.359  1.00  0.00           C  
HETATM   44  C   UNL     1       7.542   0.793   1.845  1.00  0.00           C  
HETATM   45  C   UNL     1       6.412  -0.412   0.346  1.00  0.00           C  
HETATM   46  N   UNL     1     -11.472  -3.998   1.014  1.00  0.00           N  
HETATM   47  N   UNL     1      -9.213  -2.267   1.096  1.00  0.00           N  
HETATM   48  N   UNL     1       7.698  -0.855   0.399  1.00  0.00           N  
HETATM   49  C   UNL     1       7.865   1.822   2.897  1.00  0.00           C  
HETATM   50  H   UNL     1      -0.912   4.937  -2.507  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.510  -5.439  -0.514  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.525  -4.006  -0.803  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.755  -3.889  -0.958  1.00  0.00           H  
HETATM   54  H   UNL     1       6.187   1.295   4.140  1.00  0.00           H  
HETATM   55  H   UNL     1       7.690   0.425   4.528  1.00  0.00           H  
HETATM   56  H   UNL     1       7.502   2.131   4.998  1.00  0.00           H  
HETATM   57  H   UNL     1       7.507   3.917   3.250  1.00  0.00           H  
HETATM   58  H   UNL     1       7.698   3.482   1.535  1.00  0.00           H  
HETATM   59  H   UNL     1       6.191   3.080   2.392  1.00  0.00           H  
HETATM   60  H   UNL     1       9.806   0.990   3.324  1.00  0.00           H  
HETATM   61  H   UNL     1       9.809   2.262   2.079  1.00  0.00           H  
HETATM   62  H   UNL     1       9.618   2.696   3.795  1.00  0.00           H  
HETATM   63  H   UNL     1      11.795  -3.530  -2.502  1.00  0.00           H  
HETATM   64  H   UNL     1      11.967  -2.034  -1.757  1.00  0.00           H  
HETATM   65  H   UNL     1       7.394  -4.895  -1.675  1.00  0.00           H  
HETATM   66  H   UNL     1       9.728  -4.781  -2.440  1.00  0.00           H  
HETATM   67  H   UNL     1       6.440  -3.060  -0.342  1.00  0.00           H  
HETATM   68  H   UNL     1       2.495   1.629  -0.644  1.00  0.00           H  
HETATM   69  H   UNL     1       0.971  -2.276  -1.492  1.00  0.00           H  
HETATM   70  H   UNL     1       0.196   2.475  -0.410  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.327  -1.429  -1.263  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.057   4.511  -0.249  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.309   5.815  -1.331  1.00  0.00           H  
HETATM   74  H   UNL     1      10.166  -0.973  -0.545  1.00  0.00           H  
HETATM   75  H   UNL     1       5.400   1.178   1.440  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.442   1.146   0.105  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.102   0.373   0.599  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.126   0.004   2.041  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.122  -1.585  -0.565  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.147  -1.954   0.877  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.088  -5.527   1.418  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.181  -4.248   2.654  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.643  -2.322   2.272  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.587  -2.234   0.765  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.097  -4.030   1.346  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.041  -3.942  -0.161  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.503  -2.016  -0.544  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.597  -0.738   0.692  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.485   2.468   1.219  1.00  0.00           H  
HETATM   90  H   UNL     1       3.388  -1.542  -1.871  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.713   0.483  -0.335  1.00  0.00           H  
HETATM   92  H   UNL     1       5.584  -1.648  -1.077  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   50                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   22                                       
CONECT    5    4    6    6   25                                       
CONECT    6    1    5    5   36                                       
CONECT    7   46   51   52   53                                       
CONECT    8   49   54   55   56                                       
CONECT    9   49   57   58   59                                       
CONECT   10   49   60   61   62                                       
CONECT   11   39   63   64                                            
CONECT   12   37   37                                                 
CONECT   13   38   38                                                 
CONECT   14   15   15   16   65                                       
CONECT   15   14   14   39   66                                       
CONECT   16   14   43   43   67                                       
CONECT   17   19   19   40   68                                       
CONECT   18   20   40   40   69                                       
CONECT   19   17   17   41   70                                       
CONECT   20   18   41   41   71                                       
CONECT   21   22   22   42   72                                       
CONECT   22    4   21   21   73                                       
CONECT   23   39   39   43   74                                       
CONECT   24   44   45   45   75                                       
CONECT   25    5   42   42   76                                       
CONECT   26   27   37   77   78                                       
CONECT   27   26   47   79   80                                       
CONECT   28   30   46   81   82                                       
CONECT   29   31   46   83   84                                       
CONECT   30   28   47   85   86                                       
CONECT   31   29   47   87   88                                       
CONECT   32   44   44   48                                            
CONECT   33   37   42   89                                            
CONECT   34   38   40   90                                            
CONECT   35   38   45   92                                            
CONECT   36    6   41   91                                            
CONECT   37   12   12   26   33                                       
CONECT   38   13   13   34   35                                       
CONECT   39   11   15   23   23                                       
CONECT   40   17   18   18   34                                       
CONECT   41   19   20   20   36                                       
CONECT   42   21   25   25   33                                       
CONECT   43   16   16   23   48                                       
CONECT   44   24   32   32   49                                       
CONECT   45   24   24   35   48                                       
CONECT   46    7   28   29                                            
CONECT   47   27   30   31                                            
CONECT   48   32   43   45                                            
CONECT   49    8    9   10   44                                       
CONECT   50    2                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   36                                                      
CONECT   92   35                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
