COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.334   2.537   0.981  1.00  0.00           C  
HETATM    2  N   UNL     1      10.966   2.619   0.462  1.00  0.00           N  
HETATM    3  C   UNL     1      10.005   1.820   0.965  1.00  0.00           C  
HETATM    4  O   UNL     1      10.273   1.030   1.849  1.00  0.00           O  
HETATM    5  N   UNL     1       8.747   1.896   0.487  1.00  0.00           N  
HETATM    6  C   UNL     1       7.762   1.076   1.002  1.00  0.00           C  
HETATM    7  N   UNL     1       8.049   0.231   1.950  1.00  0.00           N  
HETATM    8  N   UNL     1       6.479   1.153   0.515  1.00  0.00           N  
HETATM    9  C   UNL     1       5.435   0.284   1.062  1.00  0.00           C  
HETATM   10  C   UNL     1       4.110   0.570   0.351  1.00  0.00           C  
HETATM   11  C   UNL     1       3.049  -0.421   0.834  1.00  0.00           C  
HETATM   12  C   UNL     1       1.760  -0.217   0.035  1.00  0.00           C  
HETATM   13  C   UNL     1       0.763  -1.283   0.409  1.00  0.00           C  
HETATM   14  O   UNL     1       0.109  -1.172   1.424  1.00  0.00           O  
HETATM   15  N   UNL     1       0.598  -2.360  -0.385  1.00  0.00           N  
HETATM   16  C   UNL     1       1.460  -2.547  -1.554  1.00  0.00           C  
HETATM   17  C   UNL     1       2.606  -3.456  -1.193  1.00  0.00           C  
HETATM   18  C   UNL     1       2.438  -4.828  -1.231  1.00  0.00           C  
HETATM   19  C   UNL     1       3.490  -5.662  -0.899  1.00  0.00           C  
HETATM   20  C   UNL     1       4.709  -5.124  -0.530  1.00  0.00           C  
HETATM   21  C   UNL     1       4.876  -3.753  -0.493  1.00  0.00           C  
HETATM   22  C   UNL     1       3.827  -2.918  -0.830  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.444  -3.343  -0.078  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.724  -2.952  -0.769  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.631  -2.127  -0.130  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.805  -1.768  -0.764  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.073  -2.233  -2.039  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.166  -3.057  -2.678  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.989  -3.412  -2.045  1.00  0.00           C  
HETATM   30  N   UNL     1       1.201   1.103   0.338  1.00  0.00           N  
HETATM   31  C   UNL     1       0.402   1.718  -0.556  1.00  0.00           C  
HETATM   32  O   UNL     1       0.146   1.179  -1.612  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.173   3.076  -0.243  1.00  0.00           C  
HETATM   34  N   UNL     1      -1.000   3.526  -1.365  1.00  0.00           N  
HETATM   35  N   UNL     1      -0.592   4.205  -2.379  1.00  0.00           N  
HETATM   36  N   UNL     1      -1.569   4.435  -3.183  1.00  0.00           N  
HETATM   37  C   UNL     1      -2.681   3.884  -2.681  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.325   3.293  -1.517  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.224   2.531  -0.577  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.553   2.512  -1.100  1.00  0.00           O  
HETATM   41  N   UNL     1      -5.482   1.817  -0.288  1.00  0.00           N  
HETATM   42  C   UNL     1      -6.720   1.728  -0.652  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.687   1.005   0.194  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.309   0.479   1.506  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.016   0.639   2.016  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.710   0.132   3.244  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.668  -0.543   3.996  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.935  -0.716   3.529  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.288  -0.207   2.267  1.00  0.00           C  
HETATM   50  N   UNL     1      -9.522  -0.359   1.780  1.00  0.00           N  
HETATM   51  C   UNL     1      -9.877   0.105   0.608  1.00  0.00           C  
HETATM   52  C   UNL     1      -9.000   0.798  -0.220  1.00  0.00           C  
HETATM   53  H   UNL     1      12.965   3.254   0.456  1.00  0.00           H  
HETATM   54  H   UNL     1      12.332   2.766   2.047  1.00  0.00           H  
HETATM   55  H   UNL     1      12.721   1.530   0.826  1.00  0.00           H  
HETATM   56  H   UNL     1      10.753   3.250  -0.244  1.00  0.00           H  
HETATM   57  H   UNL     1       8.533   2.526  -0.219  1.00  0.00           H  
HETATM   58  H   UNL     1       7.357  -0.345   2.312  1.00  0.00           H  
HETATM   59  H   UNL     1       6.266   1.783  -0.191  1.00  0.00           H  
HETATM   60  H   UNL     1       5.712  -0.758   0.908  1.00  0.00           H  
HETATM   61  H   UNL     1       5.323   0.477   2.129  1.00  0.00           H  
HETATM   62  H   UNL     1       3.788   1.586   0.577  1.00  0.00           H  
HETATM   63  H   UNL     1       4.245   0.462  -0.725  1.00  0.00           H  
HETATM   64  H   UNL     1       3.409  -1.439   0.688  1.00  0.00           H  
HETATM   65  H   UNL     1       2.850  -0.254   1.892  1.00  0.00           H  
HETATM   66  H   UNL     1       1.979  -0.282  -1.031  1.00  0.00           H  
HETATM   67  H   UNL     1       0.882  -2.994  -2.364  1.00  0.00           H  
HETATM   68  H   UNL     1       1.849  -1.581  -1.877  1.00  0.00           H  
HETATM   69  H   UNL     1       1.486  -5.248  -1.518  1.00  0.00           H  
HETATM   70  H   UNL     1       3.359  -6.733  -0.928  1.00  0.00           H  
HETATM   71  H   UNL     1       5.530  -5.776  -0.271  1.00  0.00           H  
HETATM   72  H   UNL     1       5.828  -3.332  -0.204  1.00  0.00           H  
HETATM   73  H   UNL     1       3.958  -1.847  -0.801  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.129  -4.327  -0.426  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.608  -3.375   0.999  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.422  -1.764   0.865  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.514  -1.124  -0.265  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.991  -1.953  -2.534  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.375  -3.420  -3.673  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.279  -4.053  -2.547  1.00  0.00           H  
HETATM   81  H   UNL     1       1.406   1.534   1.183  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.784   3.013   0.657  1.00  0.00           H  
HETATM   83  H   UNL     1       0.638   3.786  -0.083  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.667   3.903  -3.122  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.859   1.509  -0.474  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.224   3.017   0.399  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.046   2.184  -1.575  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.266   1.161   1.440  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.712   0.255   3.638  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.401  -0.936   4.966  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.666  -1.242   4.125  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.891  -0.053   0.272  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.335   1.168  -1.177  1.00  0.00           H  
CONECT    1    2   53   54   55                                       
CONECT    2    1    3   56                                            
CONECT    3    4    4    2    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6   57                                            
CONECT    6    7    7    5    8                                       
CONECT    7    6    6   58                                            
CONECT    8    6    9   59                                            
CONECT    9   10    8   60   61                                       
CONECT   10   11    9   62   63                                       
CONECT   11   12   10   64   65                                       
CONECT   12   13   30   11   66                                       
CONECT   13   15   14   14   12                                       
CONECT   14   13   13                                                 
CONECT   15   23   16   13                                            
CONECT   16   17   15   67   68                                       
CONECT   17   22   22   18   16                                       
CONECT   18   19   19   17   69                                       
CONECT   19   20   18   18   70                                       
CONECT   20   21   21   19   71                                       
CONECT   21   20   20   22   72                                       
CONECT   22   21   17   17   73                                       
CONECT   23   24   15   74   75                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   76                                       
CONECT   26   25   27   27   77                                       
CONECT   27   26   26   28   78                                       
CONECT   28   29   29   27   79                                       
CONECT   29   24   28   28   80                                       
CONECT   30   12   31   81                                            
CONECT   31   30   33   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   82   83                                       
CONECT   34   33   35   38                                            
CONECT   35   34   36   36                                            
CONECT   36   35   35   37                                            
CONECT   37   36   38   38   84                                       
CONECT   38   34   37   37   39                                       
CONECT   39   38   40   85   86                                       
CONECT   40   39   41                                                 
CONECT   41   40   42   42                                            
CONECT   42   41   41   43   87                                       
CONECT   43   42   52   52   44                                       
CONECT   44   43   45   45   49                                       
CONECT   45   44   44   46   88                                       
CONECT   46   45   47   47   89                                       
CONECT   47   46   46   48   90                                       
CONECT   48   49   49   47   91                                       
CONECT   49   44   50   48   48                                       
CONECT   50   51   51   49                                            
CONECT   51   52   50   50   92                                       
CONECT   52   43   43   51   93                                       
CONECT   53    1                                                      
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    2                                                      
CONECT   57    5                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   16                                                      
CONECT   68   16                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   37                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
CONECT   87   42                                                      
CONECT   88   45                                                      
CONECT   89   46                                                      
CONECT   90   47                                                      
CONECT   91   48                                                      
CONECT   92   51                                                      
CONECT   93   52                                                      
MASTER        0    0    0    0    0    0    0    0   93    0   93    0
END
