COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  N   UNL     1      -9.520   0.454  -1.620  1.00  0.00           N  
HETATM    2  C   UNL     1      -9.532  -0.019  -0.398  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.896  -0.035   0.005  1.00  0.00           C  
HETATM    4  C   UNL     1     -11.560   0.445  -1.072  1.00  0.00           C  
HETATM    5  C   UNL     1     -13.049   0.645  -1.196  1.00  0.00           C  
HETATM    6  O   UNL     1     -10.636   0.709  -2.006  1.00  0.00           O  
HETATM    7  C   UNL     1      -8.360  -0.446   0.404  1.00  0.00           C  
HETATM    8  O   UNL     1      -8.518  -0.864   1.535  1.00  0.00           O  
HETATM    9  N   UNL     1      -7.121  -0.372  -0.120  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.963  -0.794   0.673  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.730  -0.084   0.178  1.00  0.00           C  
HETATM   12  O   UNL     1      -4.810   0.698  -0.746  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.773  -2.305   0.533  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.538  -0.317   0.762  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.339   0.373   0.280  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.234   1.743   0.953  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.094   1.560   2.465  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.010   2.485   0.413  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.119  -0.446   0.617  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.160  -1.251   1.523  1.00  0.00           O  
HETATM   21  N   UNL     1       0.018  -0.283  -0.089  1.00  0.00           N  
HETATM   22  C   UNL     1       1.225  -1.023   0.286  1.00  0.00           C  
HETATM   23  C   UNL     1       1.228  -2.383  -0.414  1.00  0.00           C  
HETATM   24  C   UNL     1       2.424  -3.204   0.071  1.00  0.00           C  
HETATM   25  C   UNL     1       2.239  -3.551   1.550  1.00  0.00           C  
HETATM   26  C   UNL     1       2.523  -4.493  -0.747  1.00  0.00           C  
HETATM   27  C   UNL     1       2.444  -0.241  -0.132  1.00  0.00           C  
HETATM   28  O   UNL     1       2.377   0.534  -1.063  1.00  0.00           O  
HETATM   29  N   UNL     1       3.607  -0.402   0.529  1.00  0.00           N  
HETATM   30  C   UNL     1       4.766   0.425   0.184  1.00  0.00           C  
HETATM   31  C   UNL     1       6.033  -0.322   0.514  1.00  0.00           C  
HETATM   32  C   UNL     1       6.912  -0.600  -0.446  1.00  0.00           C  
HETATM   33  C   UNL     1       8.146  -1.329  -0.124  1.00  0.00           C  
HETATM   34  O   UNL     1       8.365  -1.678   1.020  1.00  0.00           O  
HETATM   35  O   UNL     1       9.036  -1.610  -1.096  1.00  0.00           O  
HETATM   36  C   UNL     1      10.257  -2.330  -0.777  1.00  0.00           C  
HETATM   37  C   UNL     1      11.085  -2.517  -2.050  1.00  0.00           C  
HETATM   38  C   UNL     1       4.720   1.728   0.984  1.00  0.00           C  
HETATM   39  C   UNL     1       5.859   2.644   0.533  1.00  0.00           C  
HETATM   40  C   UNL     1       5.914   3.914   1.414  1.00  0.00           C  
HETATM   41  C   UNL     1       6.315   4.994   0.385  1.00  0.00           C  
HETATM   42  N   UNL     1       5.854   4.489  -0.914  1.00  0.00           N  
HETATM   43  C   UNL     1       5.597   3.168  -0.862  1.00  0.00           C  
HETATM   44  O   UNL     1       5.211   2.498  -1.797  1.00  0.00           O  
HETATM   45  H   UNL     1     -11.307  -0.356   0.951  1.00  0.00           H  
HETATM   46  H   UNL     1     -13.310   1.649  -0.860  1.00  0.00           H  
HETATM   47  H   UNL     1     -13.346   0.522  -2.237  1.00  0.00           H  
HETATM   48  H   UNL     1     -13.567  -0.090  -0.580  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.995  -0.039  -1.022  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.130  -0.544   1.721  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.665  -2.819   0.891  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.606  -2.555  -0.515  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.912  -2.619   1.122  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.474  -0.942   1.501  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.403   0.502  -0.800  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.133   2.322   0.739  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.195   0.981   2.679  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.020   2.537   2.944  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.967   1.032   2.850  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.069   2.540  -0.674  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.983   3.492   0.827  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.105   1.949   0.700  1.00  0.00           H  
HETATM   63  H   UNL     1       0.036   0.325  -0.845  1.00  0.00           H  
HETATM   64  H   UNL     1       1.241  -1.170   1.366  1.00  0.00           H  
HETATM   65  H   UNL     1       0.304  -2.913  -0.181  1.00  0.00           H  
HETATM   66  H   UNL     1       1.300  -2.237  -1.492  1.00  0.00           H  
HETATM   67  H   UNL     1       3.338  -2.623  -0.054  1.00  0.00           H  
HETATM   68  H   UNL     1       1.358  -4.183   1.667  1.00  0.00           H  
HETATM   69  H   UNL     1       3.118  -4.084   1.911  1.00  0.00           H  
HETATM   70  H   UNL     1       2.108  -2.635   2.124  1.00  0.00           H  
HETATM   71  H   UNL     1       2.655  -4.246  -1.800  1.00  0.00           H  
HETATM   72  H   UNL     1       3.376  -5.078  -0.401  1.00  0.00           H  
HETATM   73  H   UNL     1       1.609  -5.074  -0.622  1.00  0.00           H  
HETATM   74  H   UNL     1       3.677  -1.065   1.233  1.00  0.00           H  
HETATM   75  H   UNL     1       4.746   0.652  -0.882  1.00  0.00           H  
HETATM   76  H   UNL     1       6.227  -0.633   1.530  1.00  0.00           H  
HETATM   77  H   UNL     1       6.717  -0.290  -1.462  1.00  0.00           H  
HETATM   78  H   UNL     1      10.005  -3.305  -0.361  1.00  0.00           H  
HETATM   79  H   UNL     1      10.834  -1.761  -0.048  1.00  0.00           H  
HETATM   80  H   UNL     1      12.001  -3.057  -1.811  1.00  0.00           H  
HETATM   81  H   UNL     1      10.508  -3.085  -2.779  1.00  0.00           H  
HETATM   82  H   UNL     1      11.337  -1.541  -2.466  1.00  0.00           H  
HETATM   83  H   UNL     1       3.765   2.225   0.813  1.00  0.00           H  
HETATM   84  H   UNL     1       4.830   1.507   2.045  1.00  0.00           H  
HETATM   85  H   UNL     1       6.811   2.114   0.569  1.00  0.00           H  
HETATM   86  H   UNL     1       4.937   4.131   1.846  1.00  0.00           H  
HETATM   87  H   UNL     1       6.670   3.816   2.192  1.00  0.00           H  
HETATM   88  H   UNL     1       5.823   5.939   0.618  1.00  0.00           H  
HETATM   89  H   UNL     1       7.397   5.124   0.376  1.00  0.00           H  
HETATM   90  H   UNL     1       5.748   5.036  -1.708  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3    7                                       
CONECT    3    2    4    4   45                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4   46   47   48                                       
CONECT    6    1    4                                                 
CONECT    7    2    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   49                                            
CONECT   10    9   11   13   50                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11                                                 
CONECT   13   10   51   52   53                                       
CONECT   14   11   15   54                                            
CONECT   15   14   16   19   55                                       
CONECT   16   15   17   18   56                                       
CONECT   17   16   57   58   59                                       
CONECT   18   16   60   61   62                                       
CONECT   19   15   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   63                                            
CONECT   22   21   23   27   64                                       
CONECT   23   22   24   65   66                                       
CONECT   24   23   25   26   67                                       
CONECT   25   24   68   69   70                                       
CONECT   26   24   71   72   73                                       
CONECT   27   22   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   74                                            
CONECT   30   29   31   38   75                                       
CONECT   31   30   32   32   76                                       
CONECT   32   31   31   33   77                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36                                                 
CONECT   36   35   37   78   79                                       
CONECT   37   36   80   81   82                                       
CONECT   38   30   39   83   84                                       
CONECT   39   38   40   43   85                                       
CONECT   40   39   41   86   87                                       
CONECT   41   40   42   88   89                                       
CONECT   42   41   43   90                                            
CONECT   43   39   42   44   44                                       
CONECT   44   43   43                                                 
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
