COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.970   0.745   1.014  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.227   4.246   0.777  1.00  0.00           C  
HETATM    3  C   UNL     1       0.199   1.369   3.325  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.071   1.406   4.182  1.00  0.00           C  
HETATM    5  C   UNL     1       1.033   0.152   3.671  1.00  0.00           C  
HETATM    6  C   UNL     1       2.685  -1.277   2.972  1.00  0.00           C  
HETATM    7  C   UNL     1       0.297  -1.177   3.429  1.00  0.00           C  
HETATM    8  C   UNL     1       2.857  -1.737   0.494  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.995  -3.922  -0.685  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.660  -4.958   0.390  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.129  -3.022  -0.191  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.463  -1.986  -1.267  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.343  -3.196  -2.197  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.995  -1.773  -3.619  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.509  -1.009  -0.726  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.909  -0.209   0.432  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.834   1.823   0.732  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.343   2.152   0.864  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.100   2.941  -0.011  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.614   2.571  -0.154  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.174   1.403   1.872  1.00  0.00           C  
HETATM   22  C   UNL     1       1.418  -2.154   3.007  1.00  0.00           C  
HETATM   23  C   UNL     1       3.606  -1.642   1.826  1.00  0.00           C  
HETATM   24  C   UNL     1       2.675  -0.456  -1.520  1.00  0.00           C  
HETATM   25  C   UNL     1       3.191   0.592  -2.479  1.00  0.00           C  
HETATM   26  C   UNL     1       4.626   0.241  -2.872  1.00  0.00           C  
HETATM   27  C   UNL     1       3.164   1.943  -1.770  1.00  0.00           C  
HETATM   28  C   UNL     1       1.583   3.454  -0.958  1.00  0.00           C  
HETATM   29  C   UNL     1       2.324   4.193  -2.081  1.00  0.00           C  
HETATM   30  C   UNL     1       3.161   3.101  -2.779  1.00  0.00           C  
HETATM   31  C   UNL     1       0.073   3.609  -1.045  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.428   3.411  -2.476  1.00  0.00           C  
HETATM   33  C   UNL     1       3.048  -3.143  -0.086  1.00  0.00           C  
HETATM   34  C   UNL     1       4.538  -3.402  -0.317  1.00  0.00           C  
HETATM   35  C   UNL     1       4.719  -4.752  -1.013  1.00  0.00           C  
HETATM   36  N   UNL     1      -3.996  -2.667  -2.454  1.00  0.00           N  
HETATM   37  O   UNL     1      -2.822   0.601  -0.045  1.00  0.00           O  
HETATM   38  O   UNL     1      -0.010   2.541   1.166  1.00  0.00           O  
HETATM   39  O   UNL     1      -0.623   0.433   1.308  1.00  0.00           O  
HETATM   40  O   UNL     1       2.220   0.078   2.865  1.00  0.00           O  
HETATM   41  O   UNL     1       3.398  -0.763  -0.433  1.00  0.00           O  
HETATM   42  O   UNL     1       1.617  -0.993  -1.742  1.00  0.00           O  
HETATM   43  O   UNL     1       1.948   2.069  -1.011  1.00  0.00           O  
HETATM   44  H   UNL     1      -5.898   0.678   0.445  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.152   0.518   2.065  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.704   5.042   0.248  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.280   4.508   0.878  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.788   4.117   1.766  1.00  0.00           H  
HETATM   49  H   UNL     1       0.780   2.279   3.556  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.797   1.451   5.236  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.659   2.286   3.922  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.660   0.508   3.998  1.00  0.00           H  
HETATM   53  H   UNL     1       1.341   0.196   4.726  1.00  0.00           H  
HETATM   54  H   UNL     1       3.208  -1.388   3.925  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.177  -1.527   4.351  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.429  -1.087   2.633  1.00  0.00           H  
HETATM   57  H   UNL     1       1.798  -1.539   0.660  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.113  -3.315  -0.892  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.306  -4.432  -1.597  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.542  -5.565   0.596  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.852  -5.599   0.038  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.349  -4.448   1.302  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.010  -3.629   0.015  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.817  -2.512   0.720  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.560  -1.439  -1.537  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.011  -2.376  -1.935  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.714  -3.695  -3.092  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.302  -3.909  -1.374  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.735  -0.985  -3.473  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.007  -1.326  -3.734  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.242  -2.342  -4.515  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.813  -0.327  -1.520  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.377  -1.565  -0.373  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.556  -0.888   1.208  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.391   1.658   1.714  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.713   2.647  -0.034  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.532   2.761   1.748  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.539   3.069  -1.000  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.528   1.589  -0.620  1.00  0.00           H  
HETATM   80  H   UNL     1       1.204  -2.572   2.032  1.00  0.00           H  
HETATM   81  H   UNL     1       1.522  -2.932   3.765  1.00  0.00           H  
HETATM   82  H   UNL     1       4.384  -0.878   1.742  1.00  0.00           H  
HETATM   83  H   UNL     1       4.094  -2.608   2.022  1.00  0.00           H  
HETATM   84  H   UNL     1       2.563   0.627  -3.363  1.00  0.00           H  
HETATM   85  H   UNL     1       4.641  -0.738  -3.352  1.00  0.00           H  
HETATM   86  H   UNL     1       5.007   0.992  -3.564  1.00  0.00           H  
HETATM   87  H   UNL     1       5.251   0.218  -1.980  1.00  0.00           H  
HETATM   88  H   UNL     1       4.019   2.033  -1.098  1.00  0.00           H  
HETATM   89  H   UNL     1       1.924   3.853   0.008  1.00  0.00           H  
HETATM   90  H   UNL     1       1.666   4.678  -2.787  1.00  0.00           H  
HETATM   91  H   UNL     1       2.997   4.940  -1.638  1.00  0.00           H  
HETATM   92  H   UNL     1       4.176   3.461  -2.949  1.00  0.00           H  
HETATM   93  H   UNL     1       2.690   2.798  -3.712  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.209   4.607  -0.707  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.509   3.548  -2.503  1.00  0.00           H  
HETATM   96  H   UNL     1       0.047   4.141  -3.131  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.181   2.405  -2.812  1.00  0.00           H  
HETATM   98  H   UNL     1       2.655  -3.881   0.613  1.00  0.00           H  
HETATM   99  H   UNL     1       2.515  -3.221  -1.033  1.00  0.00           H  
HETATM  100  H   UNL     1       4.951  -2.612  -0.943  1.00  0.00           H  
HETATM  101  H   UNL     1       5.057  -3.415   0.642  1.00  0.00           H  
HETATM  102  H   UNL     1       5.781  -4.937  -1.177  1.00  0.00           H  
HETATM  103  H   UNL     1       4.306  -5.543  -0.386  1.00  0.00           H  
HETATM  104  H   UNL     1       4.200  -4.739  -1.971  1.00  0.00           H  
CONECT    1   18   16   44   45                                       
CONECT    2   19   46   47   48                                       
CONECT    3    4    5   21   49                                       
CONECT    4    3   50   51   52                                       
CONECT    5    7    3   40   53                                       
CONECT    6   22   23   40   54                                       
CONECT    7   22    5   55   56                                       
CONECT    8   23   33   41   57                                       
CONECT    9   11   10   58   59                                       
CONECT   10    9   60   61   62                                       
CONECT   11   12    9   63   64                                       
CONECT   12   36   15   11   65                                       
CONECT   13   36   66   67   68                                       
CONECT   14   36   69   70   71                                       
CONECT   15   16   12   72   73                                       
CONECT   16   37    1   15   74                                       
CONECT   17   37   18   19   75                                       
CONECT   18   17    1   76   77                                       
CONECT   19   17    2   20   78                                       
CONECT   20   38   19   31   79                                       
CONECT   21    3   39   39   38                                       
CONECT   22    7    6   80   81                                       
CONECT   23    6    8   82   83                                       
CONECT   24   41   42   42   25                                       
CONECT   25   24   27   26   84                                       
CONECT   26   25   85   86   87                                       
CONECT   27   43   25   30   88                                       
CONECT   28   43   31   29   89                                       
CONECT   29   28   30   90   91                                       
CONECT   30   27   29   92   93                                       
CONECT   31   20   28   32   94                                       
CONECT   32   31   95   96   97                                       
CONECT   33   34    8   98   99                                       
CONECT   34   35   33  100  101                                       
CONECT   35   34  102  103  104                                       
CONECT   36   13   12   14                                            
CONECT   37   17   16                                                 
CONECT   38   21   20                                                 
CONECT   39   21   21                                                 
CONECT   40    5    6                                                 
CONECT   41    8   24                                                 
CONECT   42   24   24                                                 
CONECT   43   28   27                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   29                                                      
CONECT   92   30                                                      
CONECT   93   30                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   32                                                      
CONECT   97   32                                                      
CONECT   98   33                                                      
CONECT   99   33                                                      
CONECT  100   34                                                      
CONECT  101   34                                                      
CONECT  102   35                                                      
CONECT  103   35                                                      
CONECT  104   35                                                      
MASTER        0    0    0    0    0    0    0    0  104    0  104    0
END
