COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.788  -3.008   1.527  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.989   2.940  -1.681  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.853  -2.536   0.760  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.588  -1.446   1.191  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.350  -0.735  -2.252  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.264  -0.827   2.386  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.063   0.360   2.859  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.000  -2.605  -1.339  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.695  -1.313  -0.995  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.045   0.557  -1.908  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.357   1.753  -1.995  1.00  0.00           C  
HETATM   12  N   UNL     1      -5.166  -3.179  -0.450  1.00  0.00           N  
HETATM   13  N   UNL     1      -2.984  -6.120  -0.212  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.473  -2.387   2.724  1.00  0.00           C  
HETATM   15  N   UNL     1      -4.493  -6.450  -1.979  1.00  0.00           N  
HETATM   16  C   UNL     1      -3.863  -0.615   4.447  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.322   2.930  -1.275  1.00  0.00           C  
HETATM   18  C   UNL     1     -10.005   4.202  -0.931  1.00  0.00           C  
HETATM   19  C   UNL     1      -9.314   5.410  -1.013  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.948   6.594  -0.693  1.00  0.00           C  
HETATM   21  C   UNL     1     -11.269   6.589  -0.291  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.209  -1.294   3.148  1.00  0.00           C  
HETATM   23  C   UNL     1     -11.970   5.387  -0.205  1.00  0.00           C  
HETATM   24  C   UNL     1     -13.390   5.383   0.227  1.00  0.00           C  
HETATM   25  C   UNL     1     -14.090   4.182   0.318  1.00  0.00           C  
HETATM   26  C   UNL     1     -15.410   4.184   0.721  1.00  0.00           C  
HETATM   27  C   UNL     1     -16.038   5.376   1.033  1.00  0.00           C  
HETATM   28  C   UNL     1     -15.348   6.572   0.944  1.00  0.00           C  
HETATM   29  C   UNL     1     -14.026   6.581   0.549  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.337   4.191  -0.532  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.011   1.722  -1.194  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.371   0.542  -1.515  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.587  -4.441  -0.714  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.536  -4.890   0.057  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.468  -6.873  -1.217  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.068  -5.250  -1.756  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.762  -4.436   1.703  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.633  -3.760   0.922  1.00  0.00           C  
HETATM   39  C   UNL     1       0.708  -4.085   1.582  1.00  0.00           C  
HETATM   40  C   UNL     1       1.837  -3.409   0.801  1.00  0.00           C  
HETATM   41  C   UNL     1       3.179  -3.734   1.460  1.00  0.00           C  
HETATM   42  C   UNL     1       9.964  -0.549  -1.253  1.00  0.00           C  
HETATM   43  C   UNL     1       9.981   0.840  -1.894  1.00  0.00           C  
HETATM   44  C   UNL     1      10.383   3.023  -1.232  1.00  0.00           C  
HETATM   45  C   UNL     1      10.380   3.506   1.245  1.00  0.00           C  
HETATM   46  C   UNL     1      10.737   5.644   1.279  1.00  0.00           C  
HETATM   47  C   UNL     1      10.955   7.003   1.565  1.00  0.00           C  
HETATM   48  C   UNL     1      11.100   7.421  -0.700  1.00  0.00           C  
HETATM   49  C   UNL     1      10.716   5.245  -0.068  1.00  0.00           C  
HETATM   50  C   UNL     1      11.774   2.470  -1.633  1.00  0.00           C  
HETATM   51  C   UNL     1      11.402   1.171  -2.389  1.00  0.00           C  
HETATM   52  N   UNL     1      -3.049  -4.112   1.081  1.00  0.00           N  
HETATM   53  N   UNL     1      10.489   3.892  -0.058  1.00  0.00           N  
HETATM   54  N   UNL     1      10.526   4.535   2.027  1.00  0.00           N  
HETATM   55  N   UNL     1      10.987   7.455   2.873  1.00  0.00           N  
HETATM   56  N   UNL     1      11.129   7.844   0.551  1.00  0.00           N  
HETATM   57  N   UNL     1      10.900   6.159  -1.015  1.00  0.00           N  
HETATM   58  O   UNL     1      -6.192  -3.129  -2.417  1.00  0.00           O  
HETATM   59  O   UNL     1       6.671  -2.270   0.202  1.00  0.00           O  
HETATM   60  O   UNL     1       8.526  -3.496  -1.201  1.00  0.00           O  
HETATM   61  O   UNL     1       9.044  -2.461   1.042  1.00  0.00           O  
HETATM   62  O   UNL     1       8.625  -0.888  -0.887  1.00  0.00           O  
HETATM   63  O   UNL     1       9.626   1.834  -0.918  1.00  0.00           O  
HETATM   64  O   UNL     1      12.458   3.383  -2.494  1.00  0.00           O  
HETATM   65  O   UNL     1      11.400   1.398  -3.800  1.00  0.00           O  
HETATM   66  O   UNL     1      -2.968  -7.959  -1.441  1.00  0.00           O  
HETATM   67  O   UNL     1      -5.996  -4.873  -2.452  1.00  0.00           O  
HETATM   68  O   UNL     1      -0.631  -4.240  -0.424  1.00  0.00           O  
HETATM   69  O   UNL     1       0.706  -3.605   2.928  1.00  0.00           O  
HETATM   70  O   UNL     1       1.839  -3.889  -0.545  1.00  0.00           O  
HETATM   71  O   UNL     1       4.221  -3.010   0.803  1.00  0.00           O  
HETATM   72  O   UNL     1       5.950  -2.511   2.719  1.00  0.00           O  
HETATM   73  O   UNL     1       6.192  -4.529   1.222  1.00  0.00           O  
HETATM   74  P   UNL     1       5.768  -3.111   1.236  1.00  0.00           P  
HETATM   75  P   UNL     1       8.234  -2.283  -0.184  1.00  0.00           P  
HETATM   76  H   UNL     1      -7.450   3.873  -1.745  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.412  -1.079   0.597  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.585  -0.547  -3.006  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.078  -1.447  -2.642  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.896   0.016   3.472  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.424   1.017   3.448  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.448   0.905   1.997  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.968  -0.602  -0.605  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.460  -1.502  -0.241  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.324   1.760  -2.310  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.244  -6.445   0.324  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.653  -2.752   3.324  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.821  -7.013  -2.697  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.420  -1.081   5.260  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.794  -0.713   4.636  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.125   0.442   4.386  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.281   5.420  -1.328  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.409   7.528  -0.758  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.760   7.518  -0.041  1.00  0.00           H  
HETATM   95  H   UNL     1     -13.600   3.251   0.074  1.00  0.00           H  
HETATM   96  H   UNL     1     -15.953   3.254   0.792  1.00  0.00           H  
HETATM   97  H   UNL     1     -17.071   5.373   1.347  1.00  0.00           H  
HETATM   98  H   UNL     1     -15.844   7.500   1.188  1.00  0.00           H  
HETATM   99  H   UNL     1     -13.487   7.514   0.484  1.00  0.00           H  
HETATM  100  H   UNL     1     -11.878   3.258  -0.471  1.00  0.00           H  
HETATM  101  H   UNL     1     -11.045   1.709  -0.880  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.904  -0.395  -1.449  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.615  -5.516   1.692  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.757  -4.079   2.733  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.787  -2.681   0.923  1.00  0.00           H  
HETATM  106  H   UNL     1       0.862  -5.164   1.581  1.00  0.00           H  
HETATM  107  H   UNL     1       1.684  -2.330   0.802  1.00  0.00           H  
HETATM  108  H   UNL     1       3.146  -3.448   2.512  1.00  0.00           H  
HETATM  109  H   UNL     1       3.374  -4.803   1.381  1.00  0.00           H  
HETATM  110  H   UNL     1      10.343  -1.282  -1.964  1.00  0.00           H  
HETATM  111  H   UNL     1      10.594  -0.546  -0.363  1.00  0.00           H  
HETATM  112  H   UNL     1       9.278   0.872  -2.727  1.00  0.00           H  
HETATM  113  H   UNL     1       9.928   3.558  -2.066  1.00  0.00           H  
HETATM  114  H   UNL     1      10.196   2.495   1.578  1.00  0.00           H  
HETATM  115  H   UNL     1      11.246   8.139  -1.494  1.00  0.00           H  
HETATM  116  H   UNL     1      12.374   2.247  -0.750  1.00  0.00           H  
HETATM  117  H   UNL     1      12.092   0.368  -2.132  1.00  0.00           H  
HETATM  118  H   UNL     1      10.859   6.831   3.605  1.00  0.00           H  
HETATM  119  H   UNL     1      11.138   8.395   3.058  1.00  0.00           H  
HETATM  120  H   UNL     1       8.028  -3.445  -2.029  1.00  0.00           H  
HETATM  121  H   UNL     1      13.293   3.044  -2.843  1.00  0.00           H  
HETATM  122  H   UNL     1      12.257   1.666  -4.157  1.00  0.00           H  
HETATM  123  H   UNL     1      -0.571  -5.203  -0.498  1.00  0.00           H  
HETATM  124  H   UNL     1       0.574  -2.650   3.004  1.00  0.00           H  
HETATM  125  H   UNL     1       1.971  -4.844  -0.622  1.00  0.00           H  
HETATM  126  H   UNL     1       5.691  -1.584   2.802  1.00  0.00           H  
CONECT    1    3    3   14   52                                       
CONECT    2   11   17   17   76                                       
CONECT    3    4   12    1    1                                       
CONECT    4    6    6    3   77                                       
CONECT    5    9   10   78   79                                       
CONECT    6    7    4    4   22                                       
CONECT    7    6   80   81   82                                       
CONECT    8   58   58    9   12                                       
CONECT    9    8    5   83   84                                       
CONECT   10    5   11   11   32                                       
CONECT   11   10   10    2   85                                       
CONECT   12    8    3   33                                            
CONECT   13   34   35   86                                            
CONECT   14   22   22    1   87                                       
CONECT   15   36   35   88                                            
CONECT   16   22   89   90   91                                       
CONECT   17    2    2   31   18                                       
CONECT   18   17   30   30   19                                       
CONECT   19   18   20   20   92                                       
CONECT   20   19   19   21   93                                       
CONECT   21   23   23   20   94                                       
CONECT   22    6   16   14   14                                       
CONECT   23   30   24   21   21                                       
CONECT   24   25   23   29   29                                       
CONECT   25   26   26   24   95                                       
CONECT   26   25   25   27   96                                       
CONECT   27   26   28   28   97                                       
CONECT   28   27   27   29   98                                       
CONECT   29   24   24   28   99                                       
CONECT   30   18   18   23  100                                       
CONECT   31   32   32   17  101                                       
CONECT   32   10   31   31  102                                       
CONECT   33   12   36   34   34                                       
CONECT   34   33   33   52   13                                       
CONECT   35   15   13   66   66                                       
CONECT   36   67   67   33   15                                       
CONECT   37   52   38  103  104                                       
CONECT   38   68   37   39  105                                       
CONECT   39   38   69   40  106                                       
CONECT   40   39   70   41  107                                       
CONECT   41   40   71  108  109                                       
CONECT   42   62   43  110  111                                       
CONECT   43   51   63   42  112                                       
CONECT   44   50   53   63  113                                       
CONECT   45   54   54   53  114                                       
CONECT   46   54   49   49   47                                       
CONECT   47   46   55   56   56                                       
CONECT   48   57   57   56  115                                       
CONECT   49   53   46   46   57                                       
CONECT   50   64   51   44  116                                       
CONECT   51   50   65   43  117                                       
CONECT   52    1   34   37                                            
CONECT   53   45   44   49                                            
CONECT   54   45   45   46                                            
CONECT   55   47  118  119                                            
CONECT   56   47   47   48                                            
CONECT   57   49   48   48                                            
CONECT   58    8    8                                                 
CONECT   59   75   74                                                 
CONECT   60   75  120                                                 
CONECT   61   75   75                                                 
CONECT   62   75   42                                                 
CONECT   63   44   43                                                 
CONECT   64   50  121                                                 
CONECT   65   51  122                                                 
CONECT   66   35   35                                                 
CONECT   67   36   36                                                 
CONECT   68   38  123                                                 
CONECT   69   39  124                                                 
CONECT   70   40  125                                                 
CONECT   71   41   74                                                 
CONECT   72   74  126                                                 
CONECT   73   74   74                                                 
CONECT   74   71   59   73   73                                       
CONECT   74   72                                                      
CONECT   75   61   61   60   62                                       
CONECT   75   59                                                      
CONECT   76    2                                                      
CONECT   77    4                                                      
CONECT   78    5                                                      
CONECT   79    5                                                      
CONECT   80    7                                                      
CONECT   81    7                                                      
CONECT   82    7                                                      
CONECT   83    9                                                      
CONECT   84    9                                                      
CONECT   85   11                                                      
CONECT   86   13                                                      
CONECT   87   14                                                      
CONECT   88   15                                                      
CONECT   89   16                                                      
CONECT   90   16                                                      
CONECT   91   16                                                      
CONECT   92   19                                                      
CONECT   93   20                                                      
CONECT   94   21                                                      
CONECT   95   25                                                      
CONECT   96   26                                                      
CONECT   97   27                                                      
CONECT   98   28                                                      
CONECT   99   29                                                      
CONECT  100   30                                                      
CONECT  101   31                                                      
CONECT  102   32                                                      
CONECT  103   37                                                      
CONECT  104   37                                                      
CONECT  105   38                                                      
CONECT  106   39                                                      
CONECT  107   40                                                      
CONECT  108   41                                                      
CONECT  109   41                                                      
CONECT  110   42                                                      
CONECT  111   42                                                      
CONECT  112   43                                                      
CONECT  113   44                                                      
CONECT  114   45                                                      
CONECT  115   48                                                      
CONECT  116   50                                                      
CONECT  117   51                                                      
CONECT  118   55                                                      
CONECT  119   55                                                      
CONECT  120   60                                                      
CONECT  121   64                                                      
CONECT  122   65                                                      
CONECT  123   68                                                      
CONECT  124   69                                                      
CONECT  125   70                                                      
CONECT  126   72                                                      
MASTER        0    0    0    0    0    0    0    0  126    0  126    0
END
