COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.899  -1.917   2.618  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.446  -1.841   1.266  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.532  -0.610   0.650  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.739   0.524   1.200  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.746   1.130   2.694  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.186   1.101   3.991  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.575   0.072   4.841  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.475  -0.899   4.418  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.085  -0.810   3.165  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.858   0.334   2.371  1.00  0.00           C  
HETATM   11  C   UNL     1       0.123   2.053   1.933  1.00  0.00           C  
HETATM   12  C   UNL     1       1.306   2.315   2.884  1.00  0.00           C  
HETATM   13  C   UNL     1       2.309   1.153   2.713  1.00  0.00           C  
HETATM   14  C   UNL     1       0.000  -0.002   6.232  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.800  -3.608  -0.111  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.796  -4.989  -0.545  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.797  -5.498  -1.300  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.701  -4.699  -1.837  1.00  0.00           C  
HETATM   19  C   UNL     1       0.466  -5.262  -2.150  1.00  0.00           C  
HETATM   20  C   UNL     1       1.603  -4.472  -2.739  1.00  0.00           C  
HETATM   21  C   UNL     1       2.159  -3.444  -1.763  1.00  0.00           C  
HETATM   22  C   UNL     1       2.743  -2.243  -2.524  1.00  0.00           C  
HETATM   23  C   UNL     1       3.384  -1.270  -1.533  1.00  0.00           C  
HETATM   24  C   UNL     1       4.690  -0.680  -2.028  1.00  0.00           C  
HETATM   25  C   UNL     1       5.011   0.670  -1.386  1.00  0.00           C  
HETATM   26  C   UNL     1       3.781   1.526  -1.129  1.00  0.00           C  
HETATM   27  C   UNL     1       4.143   2.760  -0.280  1.00  0.00           C  
HETATM   28  C   UNL     1       2.932   3.124   0.547  1.00  0.00           C  
HETATM   29  C   UNL     1       3.012   3.279   1.851  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.933  -5.906  -0.148  1.00  0.00           C  
HETATM   31  C   UNL     1       2.720  -5.449  -3.130  1.00  0.00           C  
HETATM   32  C   UNL     1       1.597  -1.515  -3.244  1.00  0.00           C  
HETATM   33  C   UNL     1       4.766  -0.558  -3.547  1.00  0.00           C  
HETATM   34  C   UNL     1       3.184   2.037  -2.444  1.00  0.00           C  
HETATM   35  C   UNL     1       7.042   0.292  -0.115  1.00  0.00           C  
HETATM   36  C   UNL     1       7.750  -0.066   1.166  1.00  0.00           C  
HETATM   37  C   UNL     1       5.341   4.711  -0.426  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.948   1.273  -0.552  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.502   1.721  -1.934  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.254   2.008  -0.194  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.628   1.545  -2.934  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.286   1.801  -1.279  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.360   3.681  -2.323  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.962   4.369  -3.631  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.206   4.574  -4.498  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.328   5.726  -3.320  1.00  0.00           C  
HETATM   47  N   UNL     1      -3.780  -2.969   0.527  1.00  0.00           N  
HETATM   48  N   UNL     1      -4.183  -0.170  -0.485  1.00  0.00           N  
HETATM   49  N   UNL     1      -2.972   1.590   0.487  1.00  0.00           N  
HETATM   50  N   UNL     1      -5.871   2.302  -2.619  1.00  0.00           N  
HETATM   51  O   UNL     1      -3.109  -2.908   3.299  1.00  0.00           O  
HETATM   52  O   UNL     1      -1.784  -1.919   5.254  1.00  0.00           O  
HETATM   53  O   UNL     1       0.715   2.111   4.180  1.00  0.00           O  
HETATM   54  O   UNL     1      -0.059   2.495   0.821  1.00  0.00           O  
HETATM   55  O   UNL     1       1.905   3.555   2.602  1.00  0.00           O  
HETATM   56  O   UNL     1       4.465   3.845  -1.151  1.00  0.00           O  
HETATM   57  O   UNL     1       5.708   0.436  -0.127  1.00  0.00           O  
HETATM   58  O   UNL     1       7.676   0.451  -1.132  1.00  0.00           O  
HETATM   59  O   UNL     1       3.624  -1.956  -0.294  1.00  0.00           O  
HETATM   60  O   UNL     1       1.136  -2.991  -0.879  1.00  0.00           O  
HETATM   61  O   UNL     1      -1.771  -2.967  -0.289  1.00  0.00           O  
HETATM   62  H   UNL     1       3.155   1.302   3.386  1.00  0.00           H  
HETATM   63  H   UNL     1       1.817   0.210   2.951  1.00  0.00           H  
HETATM   64  H   UNL     1       2.665   1.128   1.683  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.633   0.561   6.918  1.00  0.00           H  
HETATM   66  H   UNL     1       0.045  -1.044   6.552  1.00  0.00           H  
HETATM   67  H   UNL     1       1.004   0.422   6.233  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.818  -6.566  -1.518  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.836  -3.639  -2.009  1.00  0.00           H  
HETATM   70  H   UNL     1       0.594  -6.326  -1.978  1.00  0.00           H  
HETATM   71  H   UNL     1       1.247  -3.988  -3.649  1.00  0.00           H  
HETATM   72  H   UNL     1       2.957  -3.914  -1.181  1.00  0.00           H  
HETATM   73  H   UNL     1       3.457  -2.622  -3.245  1.00  0.00           H  
HETATM   74  H   UNL     1       2.658  -0.475  -1.331  1.00  0.00           H  
HETATM   75  H   UNL     1       5.503  -1.374  -1.724  1.00  0.00           H  
HETATM   76  H   UNL     1       5.695   1.215  -2.050  1.00  0.00           H  
HETATM   77  H   UNL     1       3.029   0.959  -0.582  1.00  0.00           H  
HETATM   78  H   UNL     1       4.984   2.538   0.365  1.00  0.00           H  
HETATM   79  H   UNL     1       1.984   3.268   0.043  1.00  0.00           H  
HETATM   80  H   UNL     1       3.980   3.224   2.333  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.717  -5.861  -0.904  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.564  -6.929  -0.068  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.336  -5.590   0.814  1.00  0.00           H  
HETATM   84  H   UNL     1       2.341  -6.160  -3.863  1.00  0.00           H  
HETATM   85  H   UNL     1       3.554  -4.893  -3.560  1.00  0.00           H  
HETATM   86  H   UNL     1       3.060  -5.985  -2.244  1.00  0.00           H  
HETATM   87  H   UNL     1       0.868  -1.170  -2.511  1.00  0.00           H  
HETATM   88  H   UNL     1       1.997  -0.659  -3.789  1.00  0.00           H  
HETATM   89  H   UNL     1       1.114  -2.198  -3.943  1.00  0.00           H  
HETATM   90  H   UNL     1       3.962   0.088  -3.901  1.00  0.00           H  
HETATM   91  H   UNL     1       5.728  -0.128  -3.829  1.00  0.00           H  
HETATM   92  H   UNL     1       4.664  -1.545  -3.997  1.00  0.00           H  
HETATM   93  H   UNL     1       2.897   1.189  -3.067  1.00  0.00           H  
HETATM   94  H   UNL     1       2.306   2.646  -2.232  1.00  0.00           H  
HETATM   95  H   UNL     1       3.926   2.639  -2.969  1.00  0.00           H  
HETATM   96  H   UNL     1       7.379  -1.024   1.531  1.00  0.00           H  
HETATM   97  H   UNL     1       8.822  -0.138   0.981  1.00  0.00           H  
HETATM   98  H   UNL     1       7.562   0.705   1.913  1.00  0.00           H  
HETATM   99  H   UNL     1       4.823   5.102   0.449  1.00  0.00           H  
HETATM  100  H   UNL     1       6.222   4.152  -0.108  1.00  0.00           H  
HETATM  101  H   UNL     1       5.648   5.537  -1.067  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.111   2.730  -1.904  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.663   1.068  -2.241  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.638   1.554   0.740  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.059   3.047   0.034  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.298   1.873  -3.925  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.905   0.489  -3.000  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.214   2.318  -1.014  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.510   0.735  -1.385  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.141   4.260  -1.831  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.491   3.614  -1.669  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.245   3.746  -4.165  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.917   5.022  -5.448  1.00  0.00           H  
HETATM  114  H   UNL     1      -6.684   3.612  -4.680  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.904   5.234  -3.982  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.442   5.580  -2.703  1.00  0.00           H  
HETATM  117  H   UNL     1      -4.044   6.216  -4.252  1.00  0.00           H  
HETATM  118  H   UNL     1      -5.045   6.349  -2.786  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.704  -3.269   0.475  1.00  0.00           H  
HETATM  120  H   UNL     1      -4.694  -0.709  -1.112  1.00  0.00           H  
HETATM  121  H   UNL     1      -2.547  -1.633   5.774  1.00  0.00           H  
HETATM  122  H   UNL     1       2.765  -2.263   0.027  1.00  0.00           H  
HETATM  123  H   UNL     1       0.815  -3.769  -0.402  1.00  0.00           H  
CONECT    1    2    9   51   51                                       
CONECT    2    1    3    3   47                                       
CONECT    3    2    2    4   48                                       
CONECT    4    3   10   49   49                                       
CONECT    5    6    6   10   11                                       
CONECT    6    5    5    7   53                                       
CONECT    7    6    8    8   14                                       
CONECT    8    7    7    9   52                                       
CONECT    9    1    8   10   10                                       
CONECT   10    4    5    9    9                                       
CONECT   11    5   12   54   54                                       
CONECT   12   11   13   53   55                                       
CONECT   13   12   62   63   64                                       
CONECT   14    7   65   66   67                                       
CONECT   15   16   47   61   61                                       
CONECT   16   15   17   17   30                                       
CONECT   17   16   16   18   68                                       
CONECT   18   17   19   19   69                                       
CONECT   19   18   18   20   70                                       
CONECT   20   19   21   31   71                                       
CONECT   21   20   22   60   72                                       
CONECT   22   21   23   32   73                                       
CONECT   23   22   24   59   74                                       
CONECT   24   23   25   33   75                                       
CONECT   25   24   26   57   76                                       
CONECT   26   25   27   34   77                                       
CONECT   27   26   28   56   78                                       
CONECT   28   27   29   29   79                                       
CONECT   29   28   28   55   80                                       
CONECT   30   16   81   82   83                                       
CONECT   31   20   84   85   86                                       
CONECT   32   22   87   88   89                                       
CONECT   33   24   90   91   92                                       
CONECT   34   26   93   94   95                                       
CONECT   35   36   57   58   58                                       
CONECT   36   35   96   97   98                                       
CONECT   37   56   99  100  101                                       
CONECT   38   39   40   48   49                                       
CONECT   39   38   41  102  103                                       
CONECT   40   38   42  104  105                                       
CONECT   41   39   50  106  107                                       
CONECT   42   40   50  108  109                                       
CONECT   43   44   50  110  111                                       
CONECT   44   43   45   46  112                                       
CONECT   45   44  113  114  115                                       
CONECT   46   44  116  117  118                                       
CONECT   47    2   15  119                                            
CONECT   48    3   38  120                                            
CONECT   49    4    4   38                                            
CONECT   50   41   42   43                                            
CONECT   51    1    1                                                 
CONECT   52    8  121                                                 
CONECT   53    6   12                                                 
CONECT   54   11   11                                                 
CONECT   55   12   29                                                 
CONECT   56   27   37                                                 
CONECT   57   25   35                                                 
CONECT   58   35   35                                                 
CONECT   59   23  122                                                 
CONECT   60   21  123                                                 
CONECT   61   15   15                                                 
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   30                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
CONECT   91   33                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   34                                                      
CONECT   95   34                                                      
CONECT   96   36                                                      
CONECT   97   36                                                      
CONECT   98   36                                                      
CONECT   99   37                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
CONECT  102   39                                                      
CONECT  103   39                                                      
CONECT  104   40                                                      
CONECT  105   40                                                      
CONECT  106   41                                                      
CONECT  107   41                                                      
CONECT  108   42                                                      
CONECT  109   42                                                      
CONECT  110   43                                                      
CONECT  111   43                                                      
CONECT  112   44                                                      
CONECT  113   45                                                      
CONECT  114   45                                                      
CONECT  115   45                                                      
CONECT  116   46                                                      
CONECT  117   46                                                      
CONECT  118   46                                                      
CONECT  119   47                                                      
CONECT  120   48                                                      
CONECT  121   52                                                      
CONECT  122   59                                                      
CONECT  123   60                                                      
MASTER        0    0    0    0    0    0    0    0  123    0  123    0
END
