COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.440   2.240  -0.205  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.408   0.854  -0.201  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.335   0.187   0.388  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.295  -1.294   0.395  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.156  -2.058   1.311  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.081  -3.468   1.281  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.885  -4.221   2.137  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.741  -3.582   2.999  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.816  -2.196   3.030  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.032  -1.431   2.195  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.467  -1.962  -0.446  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.474  -3.968  -1.405  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.149  -4.098   0.338  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.403   2.963   0.372  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.337   2.305   0.956  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.297   0.921   0.971  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.224   1.089   2.123  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.135   0.193   2.718  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.455  -1.409   2.121  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.843  -2.135   0.921  1.00  0.00           C  
HETATM   21  C   UNL     1       0.412  -1.764  -1.087  1.00  0.00           C  
HETATM   22  C   UNL     1       1.069  -0.663  -1.921  1.00  0.00           C  
HETATM   23  C   UNL     1       2.828   0.965  -1.872  1.00  0.00           C  
HETATM   24  C   UNL     1       3.951   1.512  -0.989  1.00  0.00           C  
HETATM   25  C   UNL     1       6.004   0.817  -0.010  1.00  0.00           C  
HETATM   26  C   UNL     1       7.001  -0.132   0.237  1.00  0.00           C  
HETATM   27  C   UNL     1       6.888  -1.495  -0.335  1.00  0.00           C  
HETATM   28  C   UNL     1       6.020  -2.391   0.195  1.00  0.00           C  
HETATM   29  C   UNL     1       4.924  -4.562   0.328  1.00  0.00           C  
HETATM   30  C   UNL     1       6.606  -4.097  -1.351  1.00  0.00           C  
HETATM   31  C   UNL     1       7.570  -3.198  -1.997  1.00  0.00           C  
HETATM   32  C   UNL     1       7.713  -1.889  -1.487  1.00  0.00           C  
HETATM   33  C   UNL     1       8.620  -1.012  -2.079  1.00  0.00           C  
HETATM   34  C   UNL     1       9.368  -1.436  -3.156  1.00  0.00           C  
HETATM   35  C   UNL     1       9.225  -2.723  -3.656  1.00  0.00           C  
HETATM   36  C   UNL     1       8.337  -3.603  -3.088  1.00  0.00           C  
HETATM   37  C   UNL     1       8.100   0.208   1.022  1.00  0.00           C  
HETATM   38  C   UNL     1       8.200   1.485   1.553  1.00  0.00           C  
HETATM   39  C   UNL     1      10.710   3.131   0.377  1.00  0.00           C  
HETATM   40  C   UNL     1      11.573   4.352   0.053  1.00  0.00           C  
HETATM   41  C   UNL     1       7.206   2.423   1.305  1.00  0.00           C  
HETATM   42  C   UNL     1       6.113   2.089   0.526  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.358   3.497  -3.214  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.040   4.605  -4.220  1.00  0.00           C  
HETATM   45  N   UNL     1      -9.516   2.912  -0.796  1.00  0.00           N  
HETATM   46  N   UNL     1      -6.400  -3.323  -0.470  1.00  0.00           N  
HETATM   47  N   UNL     1       5.886  -3.654  -0.302  1.00  0.00           N  
HETATM   48  N   UNL     1       9.304   1.829   2.342  1.00  0.00           N  
HETATM   49  O   UNL     1      -8.376   5.048  -1.043  1.00  0.00           O  
HETATM   50  O   UNL     1      -7.057  -5.311   0.284  1.00  0.00           O  
HETATM   51  O   UNL     1      -5.248   0.276   1.547  1.00  0.00           O  
HETATM   52  O   UNL     1      -2.494  -0.537   1.670  1.00  0.00           O  
HETATM   53  O   UNL     1      -0.197  -1.187   0.070  1.00  0.00           O  
HETATM   54  O   UNL     1       2.143  -0.080  -1.180  1.00  0.00           O  
HETATM   55  O   UNL     1       4.931   0.493  -0.779  1.00  0.00           O  
HETATM   56  O   UNL     1       6.454  -5.233  -1.763  1.00  0.00           O  
HETATM   57  O   UNL     1      11.175   3.237   3.002  1.00  0.00           O  
HETATM   58  O   UNL     1       9.076   4.246   2.168  1.00  0.00           O  
HETATM   59  O   UNL     1     -10.536   4.637  -2.177  1.00  0.00           O  
HETATM   60  S   UNL     1      -9.238   4.204  -1.794  1.00  0.00           S  
HETATM   61  S   UNL     1      10.095   3.260   2.079  1.00  0.00           S  
HETATM   62  H   UNL     1      -9.212   0.293  -0.652  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.835  -5.300   2.120  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.364  -4.165   3.661  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.496  -1.713   3.716  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.095  -0.353   2.225  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.840  -1.396  -1.120  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.540  -5.050  -1.293  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.738  -3.691  -2.426  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.456  -3.641  -1.191  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.429   4.042   0.363  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.533   2.871   1.402  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.652   1.710   2.909  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.789   1.726   1.353  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.400   0.809   3.235  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.585  -0.505   3.424  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.870  -2.140   2.815  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.685  -0.826   2.625  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.113  -2.865   1.272  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.629  -2.646   0.366  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.348  -2.267  -1.685  1.00  0.00           H  
HETATM   82  H   UNL     1       1.168  -2.486  -0.778  1.00  0.00           H  
HETATM   83  H   UNL     1       1.456  -1.089  -2.847  1.00  0.00           H  
HETATM   84  H   UNL     1       0.331   0.105  -2.155  1.00  0.00           H  
HETATM   85  H   UNL     1       2.126   1.766  -2.106  1.00  0.00           H  
HETATM   86  H   UNL     1       3.251   0.572  -2.797  1.00  0.00           H  
HETATM   87  H   UNL     1       4.416   2.367  -1.480  1.00  0.00           H  
HETATM   88  H   UNL     1       3.539   1.823  -0.029  1.00  0.00           H  
HETATM   89  H   UNL     1       5.413  -2.095   1.038  1.00  0.00           H  
HETATM   90  H   UNL     1       3.954  -4.457  -0.157  1.00  0.00           H  
HETATM   91  H   UNL     1       5.274  -5.589   0.225  1.00  0.00           H  
HETATM   92  H   UNL     1       4.830  -4.314   1.386  1.00  0.00           H  
HETATM   93  H   UNL     1       8.736  -0.009  -1.696  1.00  0.00           H  
HETATM   94  H   UNL     1      10.072  -0.759  -3.617  1.00  0.00           H  
HETATM   95  H   UNL     1       9.819  -3.036  -4.502  1.00  0.00           H  
HETATM   96  H   UNL     1       8.234  -4.602  -3.485  1.00  0.00           H  
HETATM   97  H   UNL     1       8.873  -0.521   1.216  1.00  0.00           H  
HETATM   98  H   UNL     1       9.866   3.089  -0.312  1.00  0.00           H  
HETATM   99  H   UNL     1      11.308   2.226   0.274  1.00  0.00           H  
HETATM  100  H   UNL     1      12.417   4.394   0.742  1.00  0.00           H  
HETATM  101  H   UNL     1      11.942   4.274  -0.970  1.00  0.00           H  
HETATM  102  H   UNL     1      10.975   5.257   0.156  1.00  0.00           H  
HETATM  103  H   UNL     1       7.286   3.416   1.721  1.00  0.00           H  
HETATM  104  H   UNL     1       5.343   2.822   0.336  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.983   2.742  -3.690  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.429   3.038  -2.874  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.415   5.360  -3.744  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.511   4.180  -5.074  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.969   5.064  -4.560  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.425   2.622  -0.620  1.00  0.00           H  
HETATM  111  H   UNL     1       9.605   1.230   3.043  1.00  0.00           H  
CONECT    1    2   45   14   14                                       
CONECT    2    3    3    1   62                                       
CONECT    3    4    2    2   16                                       
CONECT    4    5   11   11    3                                       
CONECT    5    6    6   10    4                                       
CONECT    6    7   13    5    5                                       
CONECT    7    8    8    6   63                                       
CONECT    8    7    7    9   64                                       
CONECT    9    8   10   10   65                                       
CONECT   10    9    9    5   66                                       
CONECT   11   46    4    4   67                                       
CONECT   12   46   68   69   70                                       
CONECT   13   50   50    6   46                                       
CONECT   14    1    1   15   71                                       
CONECT   15   16   16   14   72                                       
CONECT   16    3   51   15   15                                       
CONECT   17   51   18   73   74                                       
CONECT   18   52   17   75   76                                       
CONECT   19   52   20   77   78                                       
CONECT   20   19   53   79   80                                       
CONECT   21   53   22   81   82                                       
CONECT   22   21   54   83   84                                       
CONECT   23   54   24   85   86                                       
CONECT   24   23   55   87   88                                       
CONECT   25   42   55   26   26                                       
CONECT   26   25   25   37   27                                       
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   47   89                                       
CONECT   29   47   90   91   92                                       
CONECT   30   47   31   56   56                                       
CONECT   31   32   30   36   36                                       
CONECT   32   27   33   33   31                                       
CONECT   33   32   32   34   93                                       
CONECT   34   33   35   35   94                                       
CONECT   35   34   34   36   95                                       
CONECT   36   31   31   35   96                                       
CONECT   37   38   38   26   97                                       
CONECT   38   41   48   37   37                                       
CONECT   39   40   61   98   99                                       
CONECT   40   39  100  101  102                                       
CONECT   41   42   42   38  103                                       
CONECT   42   41   41   25  104                                       
CONECT   43   60   44  105  106                                       
CONECT   44   43  107  108  109                                       
CONECT   45   60    1  110                                            
CONECT   46   13   12   11                                            
CONECT   47   28   29   30                                            
CONECT   48   38   61  111                                            
CONECT   49   60   60                                                 
CONECT   50   13   13                                                 
CONECT   51   16   17                                                 
CONECT   52   19   18                                                 
CONECT   53   20   21                                                 
CONECT   54   22   23                                                 
CONECT   55   24   25                                                 
CONECT   56   30   30                                                 
CONECT   57   61   61                                                 
CONECT   58   61   61                                                 
CONECT   59   60   60                                                 
CONECT   60   59   59   49   49                                       
CONECT   60   45   43                                                 
CONECT   61   39   48   57   57                                       
CONECT   61   58   58                                                 
CONECT   62    2                                                      
CONECT   63    7                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   12                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   17                                                      
CONECT   74   17                                                      
CONECT   75   18                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   19                                                      
CONECT   79   20                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   21                                                      
CONECT   83   22                                                      
CONECT   84   22                                                      
CONECT   85   23                                                      
CONECT   86   23                                                      
CONECT   87   24                                                      
CONECT   88   24                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   29                                                      
CONECT   92   29                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   37                                                      
CONECT   98   39                                                      
CONECT   99   39                                                      
CONECT  100   40                                                      
CONECT  101   40                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   42                                                      
CONECT  105   43                                                      
CONECT  106   43                                                      
CONECT  107   44                                                      
CONECT  108   44                                                      
CONECT  109   44                                                      
CONECT  110   45                                                      
CONECT  111   48                                                      
MASTER        0    0    0    0    0    0    0    0  111    0  111    0
END
