COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.053  -4.619   1.422  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.014  -3.382   1.851  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.216  -3.036   3.082  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.189  -1.989   2.736  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.466  -0.651   2.950  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.524   0.309   2.632  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.967  -2.366   2.211  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.024  -1.406   1.894  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.304  -0.068   2.101  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.277   0.979   1.756  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.723   1.871  -0.050  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.889   3.072  -0.074  1.00  0.00           O  
HETATM   13  N   UNL     1      -4.755   1.042  -0.304  1.00  0.00           N  
HETATM   14  C   UNL     1      -6.078   1.593  -0.609  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.163   1.918  -2.102  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.088   2.946  -2.462  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.941   0.642  -2.916  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.137   0.581  -0.255  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.818  -0.494   0.207  1.00  0.00           O  
HETATM   20  N   UNL     1      -8.438   0.870  -0.451  1.00  0.00           N  
HETATM   21  C   UNL     1      -9.468  -0.114  -0.107  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.829   0.452  -0.421  1.00  0.00           C  
HETATM   23  C   UNL     1     -11.647  -0.205  -1.205  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.155   0.113  -0.497  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.287   2.332  -0.096  1.00  0.00           C  
HETATM   26  C   UNL     1       0.097   1.734   0.162  1.00  0.00           C  
HETATM   27  C   UNL     1       1.170   2.783  -0.137  1.00  0.00           C  
HETATM   28  N   UNL     1       2.501   2.182   0.026  1.00  0.00           N  
HETATM   29  N   UNL     1       2.721   1.218  -0.916  1.00  0.00           N  
HETATM   30  C   UNL     1       2.908  -0.062  -0.539  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.362   1.305   0.264  1.00  0.00           C  
HETATM   32  O   UNL     1       2.797  -0.373   0.628  1.00  0.00           O  
HETATM   33  C   UNL     1       3.253  -1.108  -1.568  1.00  0.00           C  
HETATM   34  C   UNL     1       2.004  -1.457  -2.379  1.00  0.00           C  
HETATM   35  C   UNL     1       1.439  -0.187  -3.017  1.00  0.00           C  
HETATM   36  C   UNL     1       2.372  -2.458  -3.477  1.00  0.00           C  
HETATM   37  C   UNL     1       0.953  -2.077  -1.457  1.00  0.00           C  
HETATM   38  N   UNL     1       3.750  -2.311  -0.894  1.00  0.00           N  
HETATM   39  C   UNL     1       4.781  -3.000  -1.420  1.00  0.00           C  
HETATM   40  O   UNL     1       5.299  -2.625  -2.453  1.00  0.00           O  
HETATM   41  O   UNL     1       5.237  -4.106  -0.800  1.00  0.00           O  
HETATM   42  C   UNL     1       6.351  -4.798  -1.424  1.00  0.00           C  
HETATM   43  C   UNL     1       3.551   3.209  -0.017  1.00  0.00           C  
HETATM   44  C   UNL     1       4.886   2.574   0.275  1.00  0.00           C  
HETATM   45  C   UNL     1       5.653   2.076  -0.763  1.00  0.00           C  
HETATM   46  C   UNL     1       6.877   1.493  -0.502  1.00  0.00           C  
HETATM   47  C   UNL     1       5.343   2.498   1.578  1.00  0.00           C  
HETATM   48  C   UNL     1       6.565   1.918   1.851  1.00  0.00           C  
HETATM   49  C   UNL     1       7.339   1.408   0.810  1.00  0.00           C  
HETATM   50  C   UNL     1       8.654   0.783   1.097  1.00  0.00           C  
HETATM   51  C   UNL     1       9.444   0.267   0.066  1.00  0.00           C  
HETATM   52  C   UNL     1      10.660  -0.306   0.377  1.00  0.00           C  
HETATM   53  N   UNL     1      11.078  -0.370   1.627  1.00  0.00           N  
HETATM   54  C   UNL     1      10.364   0.105   2.629  1.00  0.00           C  
HETATM   55  C   UNL     1       9.139   0.699   2.405  1.00  0.00           C  
HETATM   56  H   UNL     1       9.107   0.315  -0.959  1.00  0.00           H  
HETATM   57  H   UNL     1      11.277  -0.708  -0.413  1.00  0.00           H  
HETATM   58  H   UNL     1      10.745   0.031   3.637  1.00  0.00           H  
HETATM   59  H   UNL     1       8.559   1.086   3.230  1.00  0.00           H  
HETATM   60  H   UNL     1       6.921   1.859   2.869  1.00  0.00           H  
HETATM   61  H   UNL     1       7.475   1.104  -1.312  1.00  0.00           H  
HETATM   62  H   UNL     1       4.742   2.893   2.384  1.00  0.00           H  
HETATM   63  H   UNL     1       5.294   2.142  -1.779  1.00  0.00           H  
HETATM   64  H   UNL     1       3.574   3.665  -1.007  1.00  0.00           H  
HETATM   65  H   UNL     1       3.341   3.974   0.731  1.00  0.00           H  
HETATM   66  H   UNL     1       2.743   1.455  -1.857  1.00  0.00           H  
HETATM   67  H   UNL     1       1.055   3.139  -1.160  1.00  0.00           H  
HETATM   68  H   UNL     1       1.063   3.620   0.554  1.00  0.00           H  
HETATM   69  H   UNL     1       4.023  -0.721  -2.235  1.00  0.00           H  
HETATM   70  H   UNL     1       3.336  -2.610  -0.069  1.00  0.00           H  
HETATM   71  H   UNL     1       2.179   0.242  -3.692  1.00  0.00           H  
HETATM   72  H   UNL     1       0.536  -0.432  -3.577  1.00  0.00           H  
HETATM   73  H   UNL     1       1.197   0.535  -2.237  1.00  0.00           H  
HETATM   74  H   UNL     1       2.775  -3.363  -3.023  1.00  0.00           H  
HETATM   75  H   UNL     1       1.482  -2.707  -4.055  1.00  0.00           H  
HETATM   76  H   UNL     1       3.121  -2.017  -4.134  1.00  0.00           H  
HETATM   77  H   UNL     1       0.690  -1.364  -0.675  1.00  0.00           H  
HETATM   78  H   UNL     1       0.063  -2.325  -2.035  1.00  0.00           H  
HETATM   79  H   UNL     1       1.356  -2.982  -1.002  1.00  0.00           H  
HETATM   80  H   UNL     1       6.619  -5.668  -0.824  1.00  0.00           H  
HETATM   81  H   UNL     1       6.064  -5.121  -2.424  1.00  0.00           H  
HETATM   82  H   UNL     1       7.206  -4.125  -1.490  1.00  0.00           H  
HETATM   83  H   UNL     1       0.171   1.426   1.205  1.00  0.00           H  
HETATM   84  H   UNL     1       0.245   0.869  -0.484  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.417   3.224   0.517  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.377   2.599  -1.149  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.469   1.882   2.336  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.281   0.602   1.990  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.195   0.245  -1.454  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.070  -1.700   1.484  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.740   1.354   2.799  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.749  -3.411   2.048  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.419  -0.357   3.364  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.884  -2.649   3.851  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.714  -3.929   3.452  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.554  -2.610   1.322  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.625  -4.867   0.540  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.510  -5.390   1.948  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.622   0.082  -0.285  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.236   2.502  -0.029  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.147   2.328  -2.329  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.246   3.855  -1.882  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.104   2.536  -2.235  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.148   3.178  -3.525  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.707  -0.090  -2.659  1.00  0.00           H  
HETATM  106  H   UNL     1      -6.002   0.874  -3.979  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.957   0.233  -2.689  1.00  0.00           H  
HETATM  108  H   UNL     1      -8.694   1.730  -0.821  1.00  0.00           H  
HETATM  109  H   UNL     1      -9.310  -1.023  -0.687  1.00  0.00           H  
HETATM  110  H   UNL     1      -9.407  -0.346   0.956  1.00  0.00           H  
HETATM  111  H   UNL     1     -11.130   1.400   0.001  1.00  0.00           H  
HETATM  112  H   UNL     1     -11.346  -1.153  -1.626  1.00  0.00           H  
HETATM  113  H   UNL     1     -12.622   0.200  -1.430  1.00  0.00           H  
CONECT    1    2    2   97   98                                       
CONECT    2    3    1    1   96                                       
CONECT    3    4    2   94   95                                       
CONECT    4    7    5    5    3                                       
CONECT    5    6    4    4   93                                       
CONECT    6    9    9    5   91                                       
CONECT    7    8    8    4   92                                       
CONECT    8    9    7    7   90                                       
CONECT    9   10    8    6    6                                       
CONECT   10   31    9   87   88                                       
CONECT   11   31   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   99                                            
CONECT   14   13   15   18  100                                       
CONECT   15   14   16   17  101                                       
CONECT   16   15  102  103  104                                       
CONECT   17   15  105  106  107                                       
CONECT   18   14   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21  108                                            
CONECT   21   20   22  109  110                                       
CONECT   22   21   23   23  111                                       
CONECT   23   22   22  112  113                                       
CONECT   24   31   89                                                 
CONECT   25   26   31   85   86                                       
CONECT   26   27   25   83   84                                       
CONECT   27   28   26   67   68                                       
CONECT   28   43   29   27                                            
CONECT   29   28   30   66                                            
CONECT   30   29   32   32   33                                       
CONECT   31   25   10   24   11                                       
CONECT   32   30   30                                                 
CONECT   33   30   34   38   69                                       
CONECT   34   33   35   36   37                                       
CONECT   35   34   71   72   73                                       
CONECT   36   34   74   75   76                                       
CONECT   37   34   77   78   79                                       
CONECT   38   33   39   70                                            
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   42                                                 
CONECT   42   41   80   81   82                                       
CONECT   43   44   28   64   65                                       
CONECT   44   47   45   45   43                                       
CONECT   45   46   44   44   63                                       
CONECT   46   49   49   45   61                                       
CONECT   47   48   48   44   62                                       
CONECT   48   49   47   47   60                                       
CONECT   49   50   48   46   46                                       
CONECT   50   51   51   55   49                                       
CONECT   51   52   50   50   56                                       
CONECT   52   51   53   53   57                                       
CONECT   53   52   52   54                                            
CONECT   54   53   55   55   58                                       
CONECT   55   54   54   50   59                                       
CONECT   56   51                                                      
CONECT   57   52                                                      
CONECT   58   54                                                      
CONECT   59   55                                                      
CONECT   60   48                                                      
CONECT   61   46                                                      
CONECT   62   47                                                      
CONECT   63   45                                                      
CONECT   64   43                                                      
CONECT   65   43                                                      
CONECT   66   29                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   33                                                      
CONECT   70   38                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   26                                                      
CONECT   84   26                                                      
CONECT   85   25                                                      
CONECT   86   25                                                      
CONECT   87   10                                                      
CONECT   88   10                                                      
CONECT   89   24                                                      
CONECT   90    8                                                      
CONECT   91    6                                                      
CONECT   92    7                                                      
CONECT   93    5                                                      
CONECT   94    3                                                      
CONECT   95    3                                                      
CONECT   96    2                                                      
CONECT   97    1                                                      
CONECT   98    1                                                      
CONECT   99   13                                                      
CONECT  100   14                                                      
CONECT  101   15                                                      
CONECT  102   16                                                      
CONECT  103   16                                                      
CONECT  104   16                                                      
CONECT  105   17                                                      
CONECT  106   17                                                      
CONECT  107   17                                                      
CONECT  108   20                                                      
CONECT  109   21                                                      
CONECT  110   21                                                      
CONECT  111   22                                                      
CONECT  112   23                                                      
CONECT  113   23                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
