COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.416   6.602   1.766  1.00  0.00           C  
HETATM    2  C   UNL     1       0.264   5.080   1.806  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.217   4.719   1.932  1.00  0.00           C  
HETATM    4  C   UNL     1       0.820   4.487   0.537  1.00  0.00           C  
HETATM    5  O   UNL     1       1.291   5.210  -0.315  1.00  0.00           O  
HETATM    6  C   UNL     1       1.243   2.583  -0.923  1.00  0.00           C  
HETATM    7  C   UNL     1       1.250   1.079  -0.826  1.00  0.00           C  
HETATM    8  C   UNL     1       0.292   3.017  -2.040  1.00  0.00           C  
HETATM    9  N   UNL     1       0.793   3.153   0.349  1.00  0.00           N  
HETATM   10  O   UNL     1       0.421   0.417  -1.412  1.00  0.00           O  
HETATM   11  C   UNL     1       2.656   3.081  -1.234  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.280   1.961  -1.470  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.052   1.419  -0.266  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.904  -0.050  -0.225  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.267   3.006  -1.000  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.916   3.732  -1.433  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.199   3.202  -2.077  1.00  0.00           C  
HETATM   18  N   UNL     1       2.214   0.477  -0.062  1.00  0.00           N  
HETATM   19  C   UNL     1       2.141  -1.003  -0.024  1.00  0.00           C  
HETATM   20  C   UNL     1       1.022  -1.404   0.903  1.00  0.00           C  
HETATM   21  O   UNL     1       0.627  -0.639   1.756  1.00  0.00           O  
HETATM   22  C   UNL     1       3.465  -1.569   0.495  1.00  0.00           C  
HETATM   23  C   UNL     1       4.582  -1.246  -0.500  1.00  0.00           C  
HETATM   24  C   UNL     1       5.906  -1.812   0.019  1.00  0.00           C  
HETATM   25  N   UNL     1       6.976  -1.502  -0.933  1.00  0.00           N  
HETATM   26  C   UNL     1       8.256  -1.911  -0.680  1.00  0.00           C  
HETATM   27  N   UNL     1       8.531  -2.590   0.433  1.00  0.00           N  
HETATM   28  N   UNL     1       9.229  -1.629  -1.545  1.00  0.00           N1+
HETATM   29  N   UNL     1       0.461  -2.638   0.767  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.635  -2.965   1.702  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.951  -2.671   1.028  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.053  -2.724  -0.179  1.00  0.00           O  
HETATM   33  C   UNL     1      -0.503  -2.111   2.965  1.00  0.00           C  
HETATM   34  C   UNL     1       0.887  -2.308   3.572  1.00  0.00           C  
HETATM   35  N   UNL     1      -3.028  -2.345   1.807  1.00  0.00           N  
HETATM   36  C   UNL     1      -4.277  -2.071   1.056  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.181  -2.672  -0.322  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.714  -1.911  -1.377  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.627  -2.462  -2.642  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.005  -3.775  -2.851  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.471  -4.537  -1.796  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.555  -3.987  -0.531  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.451  -0.578   0.947  1.00  0.00           C  
HETATM   44  O   UNL     1      -4.194   0.142   1.888  1.00  0.00           O  
HETATM   45  H   UNL     1       0.014   7.032   2.684  1.00  0.00           H  
HETATM   46  H   UNL     1       1.471   6.860   1.677  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.129   7.000   0.910  1.00  0.00           H  
HETATM   48  H   UNL     1       0.809   4.683   2.662  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.619   5.148   2.850  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.762   5.116   1.076  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.325   3.635   1.960  1.00  0.00           H  
HETATM   52  H   UNL     1       0.813   3.695  -2.717  1.00  0.00           H  
HETATM   53  H   UNL     1       0.477   2.569   1.057  1.00  0.00           H  
HETATM   54  H   UNL     1       2.651   4.168  -1.304  1.00  0.00           H  
HETATM   55  H   UNL     1       3.333   2.771  -0.438  1.00  0.00           H  
HETATM   56  H   UNL     1       2.991   2.657  -2.181  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.756   1.142  -1.963  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.977   2.420  -2.172  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.651   1.853   0.650  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.107   1.679  -0.361  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.115  -0.607  -0.990  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.778   3.951  -0.818  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.795   2.665  -0.078  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.946   3.547  -0.359  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.994   2.249  -2.564  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.556   3.919  -2.817  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.044   2.140  -2.593  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.834   4.804  -1.615  1.00  0.00           H  
HETATM   69  H   UNL     1       2.891   0.980   0.417  1.00  0.00           H  
HETATM   70  H   UNL     1       1.943  -1.387  -1.025  1.00  0.00           H  
HETATM   71  H   UNL     1       3.698  -1.122   1.461  1.00  0.00           H  
HETATM   72  H   UNL     1       3.379  -2.650   0.606  1.00  0.00           H  
HETATM   73  H   UNL     1       4.349  -1.693  -1.466  1.00  0.00           H  
HETATM   74  H   UNL     1       4.668  -0.165  -0.611  1.00  0.00           H  
HETATM   75  H   UNL     1       6.139  -1.364   0.985  1.00  0.00           H  
HETATM   76  H   UNL     1       5.820  -2.892   0.130  1.00  0.00           H  
HETATM   77  H   UNL     1       6.776  -1.007  -1.743  1.00  0.00           H  
HETATM   78  H   UNL     1       7.822  -2.795   1.063  1.00  0.00           H  
HETATM   79  H   UNL     1       9.439  -2.880   0.612  1.00  0.00           H  
HETATM   80  H   UNL     1      10.137  -1.919  -1.365  1.00  0.00           H  
HETATM   81  H   UNL     1       9.029  -1.135  -2.355  1.00  0.00           H  
HETATM   82  H   UNL     1       0.764  -3.267   0.094  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.587  -4.021   1.967  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.643  -1.060   2.709  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.262  -2.412   3.688  1.00  0.00           H  
HETATM   86  H   UNL     1       0.981  -1.700   4.471  1.00  0.00           H  
HETATM   87  H   UNL     1       1.026  -3.358   3.828  1.00  0.00           H  
HETATM   88  H   UNL     1       1.645  -2.007   2.849  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.978  -2.297   2.775  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.125  -2.504   1.587  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.419  -0.885  -1.214  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.263  -1.867  -3.466  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.937  -4.205  -3.839  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.767  -5.562  -1.960  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.915  -4.583   0.295  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    1    3    4   48                                       
CONECT    3    2   49   50   51                                       
CONECT    4    2    5    5    9                                       
CONECT    5    4    4                                                 
CONECT    6    7    9   11    8                                       
CONECT    7   10   10    6   18                                       
CONECT    8    6   16   52   67                                       
CONECT    9    6   53    4                                            
CONECT   10    7    7                                                 
CONECT   11    6   54   55   56                                       
CONECT   12   13   15   57   58                                       
CONECT   13   14   12   59   60                                       
CONECT   14   13   61   43                                            
CONECT   15   17   12   62   63                                       
CONECT   16    8   17   64   68                                       
CONECT   17   16   15   65   66                                       
CONECT   18   19   69    7                                            
CONECT   19   18   20   22   70                                       
CONECT   20   19   21   21   29                                       
CONECT   21   20   20                                                 
CONECT   22   19   23   71   72                                       
CONECT   23   22   24   73   74                                       
CONECT   24   23   25   75   76                                       
CONECT   25   24   26   77                                            
CONECT   26   25   27   28   28                                       
CONECT   27   26   78   79                                            
CONECT   28   26   26   80   81                                       
CONECT   29   30   82   20                                            
CONECT   30   29   31   33   83                                       
CONECT   31   30   32   32   35                                       
CONECT   32   31   31                                                 
CONECT   33   30   34   84   85                                       
CONECT   34   33   86   87   88                                       
CONECT   35   36   89   31                                            
CONECT   36   35   37   43   90                                       
CONECT   37   36   38   42   42                                       
CONECT   38   37   39   39   91                                       
CONECT   39   38   38   40   92                                       
CONECT   40   39   41   41   93                                       
CONECT   41   40   40   42   94                                       
CONECT   42   37   37   41   95                                       
CONECT   43   36   44   44   14                                       
CONECT   44   43   43                                                 
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   13                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67    8                                                      
CONECT   68   16                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   27                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   36                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   42                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
