COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.636   3.197   0.206  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.633  -0.634   1.277  1.00  0.00           C  
HETATM    3  C   UNL     1       0.712  -0.349   0.571  1.00  0.00           C  
HETATM    4  C   UNL     1       1.575   0.581   1.426  1.00  0.00           C  
HETATM    5  C   UNL     1       6.359   2.646   0.578  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.602   0.008  -2.059  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.594   2.171  -2.867  1.00  0.00           C  
HETATM    8  C   UNL     1      -9.791   1.531  -1.594  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.364   0.257  -1.442  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.485   0.253  -0.360  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.646   2.596  -0.775  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.733   2.691   1.332  1.00  0.00           C  
HETATM   13  C   UNL     1       7.570   1.688   0.463  1.00  0.00           C  
HETATM   14  C   UNL     1       8.096   2.000  -0.961  1.00  0.00           C  
HETATM   15  C   UNL     1      10.566   2.514  -0.903  1.00  0.00           C  
HETATM   16  C   UNL     1      11.431   0.581  -1.370  1.00  0.00           C  
HETATM   17  C   UNL     1      12.224  -0.545  -1.650  1.00  0.00           C  
HETATM   18  C   UNL     1      10.300  -1.798  -1.888  1.00  0.00           C  
HETATM   19  C   UNL     1      10.035   0.424  -1.364  1.00  0.00           C  
HETATM   20  C   UNL     1       6.632   3.730  -0.482  1.00  0.00           C  
HETATM   21  C   UNL     1       6.690   5.106   0.183  1.00  0.00           C  
HETATM   22  C   UNL     1       0.276  -2.547   0.074  1.00  0.00           C  
HETATM   23  C   UNL     1       1.580  -4.328   1.297  1.00  0.00           C  
HETATM   24  C   UNL     1       0.808  -6.142   0.393  1.00  0.00           C  
HETATM   25  C   UNL     1       0.477  -7.440  -0.030  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.037  -6.533  -1.518  1.00  0.00           C  
HETATM   27  C   UNL     1       0.144  -5.059  -0.208  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.926  -2.113   0.942  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.685   4.174   0.771  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.043   3.533   0.393  1.00  0.00           C  
HETATM   31  N   UNL     1     -12.215  -1.227  -1.944  1.00  0.00           N  
HETATM   32  N   UNL     1     -12.172   0.989  -2.752  1.00  0.00           N  
HETATM   33  N   UNL     1     -10.434   2.447  -2.310  1.00  0.00           N  
HETATM   34  N   UNL     1      -9.517  -0.474  -0.678  1.00  0.00           N  
HETATM   35  N   UNL     1      -8.605   1.497  -0.904  1.00  0.00           N  
HETATM   36  N   UNL     1       9.517   1.660  -1.072  1.00  0.00           N  
HETATM   37  N   UNL     1      11.688   1.878  -1.078  1.00  0.00           N  
HETATM   38  N   UNL     1      13.605  -0.453  -1.664  1.00  0.00           N  
HETATM   39  N   UNL     1      11.617  -1.701  -1.900  1.00  0.00           N  
HETATM   40  N   UNL     1       9.518  -0.773  -1.625  1.00  0.00           N  
HETATM   41  N   UNL     1       0.655  -3.929   0.379  1.00  0.00           N  
HETATM   42  N   UNL     1       1.668  -5.627   1.304  1.00  0.00           N  
HETATM   43  N   UNL     1       1.093  -8.546   0.530  1.00  0.00           N  
HETATM   44  N   UNL     1      -0.443  -7.582  -0.979  1.00  0.00           N  
HETATM   45  N   UNL     1      -0.763  -5.299  -1.149  1.00  0.00           N  
HETATM   46  O   UNL     1      -6.350   2.096  -0.381  1.00  0.00           O  
HETATM   47  O   UNL     1      -3.703   1.867   0.783  1.00  0.00           O  
HETATM   48  O   UNL     1      -3.213   0.351   2.740  1.00  0.00           O  
HETATM   49  O   UNL     1      -1.644   2.292   2.362  1.00  0.00           O  
HETATM   50  O   UNL     1      -1.661   0.211   0.755  1.00  0.00           O  
HETATM   51  O   UNL     1       2.761   0.925   0.707  1.00  0.00           O  
HETATM   52  O   UNL     1       4.360   1.364   2.611  1.00  0.00           O  
HETATM   53  O   UNL     1       3.298   3.371   1.508  1.00  0.00           O  
HETATM   54  O   UNL     1       5.144   1.954   0.285  1.00  0.00           O  
HETATM   55  O   UNL     1       7.153   0.325   0.566  1.00  0.00           O  
HETATM   56  O   UNL     1       7.900   3.425  -1.088  1.00  0.00           O  
HETATM   57  O   UNL     1       6.828   6.115  -0.820  1.00  0.00           O  
HETATM   58  O   UNL     1       1.341  -1.642   0.439  1.00  0.00           O  
HETATM   59  O   UNL     1      -2.144  -2.228   0.204  1.00  0.00           O  
HETATM   60  O   UNL     1      -2.985  -4.463   1.020  1.00  0.00           O  
HETATM   61  O   UNL     1      -3.995  -2.398   2.062  1.00  0.00           O  
HETATM   62  O   UNL     1      -4.549  -3.094  -0.412  1.00  0.00           O  
HETATM   63  O   UNL     1      -6.550   5.460   0.162  1.00  0.00           O  
HETATM   64  O   UNL     1      -8.972   4.527  -0.043  1.00  0.00           O  
HETATM   65  P   UNL     1      -2.569   1.162   1.683  1.00  0.00           P  
HETATM   66  P   UNL     1       3.901   1.892   1.306  1.00  0.00           P  
HETATM   67  P   UNL     1      -3.409  -3.076   0.725  1.00  0.00           P  
HETATM   68  H   UNL     1      -5.036   3.697  -0.554  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.538  -0.497   2.354  1.00  0.00           H  
HETATM   70  H   UNL     1       0.539   0.091  -0.411  1.00  0.00           H  
HETATM   71  H   UNL     1       1.015   1.487   1.657  1.00  0.00           H  
HETATM   72  H   UNL     1       1.846   0.075   2.353  1.00  0.00           H  
HETATM   73  H   UNL     1       6.314   3.089   1.574  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.093   2.939  -3.439  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.654  -0.082   0.245  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.576   3.154  -1.709  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.283   3.540   1.847  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.325   2.109   2.039  1.00  0.00           H  
HETATM   79  H   UNL     1       8.323   1.921   1.216  1.00  0.00           H  
HETATM   80  H   UNL     1       7.514   1.465  -1.711  1.00  0.00           H  
HETATM   81  H   UNL     1      10.479   3.563  -0.664  1.00  0.00           H  
HETATM   82  H   UNL     1       9.848  -2.757  -2.097  1.00  0.00           H  
HETATM   83  H   UNL     1       5.847   3.714  -1.238  1.00  0.00           H  
HETATM   84  H   UNL     1       5.773   5.276   0.747  1.00  0.00           H  
HETATM   85  H   UNL     1       7.545   5.147   0.859  1.00  0.00           H  
HETATM   86  H   UNL     1       0.037  -2.444  -0.984  1.00  0.00           H  
HETATM   87  H   UNL     1       2.157  -3.665   1.924  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.779  -6.694  -2.286  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.973  -2.709   1.854  1.00  0.00           H  
HETATM   90  H   UNL     1      -6.589   4.254   1.854  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.449   2.963   1.229  1.00  0.00           H  
HETATM   92  H   UNL     1     -11.791  -1.933  -1.433  1.00  0.00           H  
HETATM   93  H   UNL     1     -13.069  -1.386  -2.375  1.00  0.00           H  
HETATM   94  H   UNL     1      14.036   0.396  -1.479  1.00  0.00           H  
HETATM   95  H   UNL     1      14.141  -1.237  -1.858  1.00  0.00           H  
HETATM   96  H   UNL     1       1.763  -8.429   1.222  1.00  0.00           H  
HETATM   97  H   UNL     1       0.856  -9.437   0.230  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.190   2.862   1.727  1.00  0.00           H  
HETATM   99  H   UNL     1       2.977   3.780   0.693  1.00  0.00           H  
HETATM  100  H   UNL     1       7.877  -0.313   0.499  1.00  0.00           H  
HETATM  101  H   UNL     1       6.871   7.015  -0.469  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.293  -1.486   1.943  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.342  -3.588  -0.166  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.186   6.115   0.481  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.251   5.138   0.653  1.00  0.00           H  
CONECT    1   46   12   29   68                                       
CONECT    2   50    3   28   69                                       
CONECT    3    2    4   58   70                                       
CONECT    4   51    3   71   72                                       
CONECT    5   54   13   20   73                                       
CONECT    6   31   32   32    9                                       
CONECT    7   32   33   33   74                                       
CONECT    8   33    9    9   35                                       
CONECT    9    8    8   34    6                                       
CONECT   10   34   34   35   75                                       
CONECT   11   35   46   30   76                                       
CONECT   12   47    1   77   78                                       
CONECT   13    5   55   14   79                                       
CONECT   14   13   36   56   80                                       
CONECT   15   36   37   37   81                                       
CONECT   16   37   17   17   19                                       
CONECT   17   16   16   38   39                                       
CONECT   18   39   39   40   82                                       
CONECT   19   40   40   36   16                                       
CONECT   20   56   21    5   83                                       
CONECT   21   20   57   84   85                                       
CONECT   22   58   41   28   86                                       
CONECT   23   41   42   42   87                                       
CONECT   24   42   25   25   27                                       
CONECT   25   24   24   43   44                                       
CONECT   26   44   44   45   88                                       
CONECT   27   45   45   41   24                                       
CONECT   28   22   59    2   89                                       
CONECT   29    1   63   30   90                                       
CONECT   30   29   64   11   91                                       
CONECT   31    6   92   93                                            
CONECT   32    6    6    7                                            
CONECT   33    7    7    8                                            
CONECT   34    9   10   10                                            
CONECT   35   10   11    8                                            
CONECT   36   15   14   19                                            
CONECT   37   15   15   16                                            
CONECT   38   17   94   95                                            
CONECT   39   17   18   18                                            
CONECT   40   18   19   19                                            
CONECT   41   23   22   27                                            
CONECT   42   23   23   24                                            
CONECT   43   25   96   97                                            
CONECT   44   25   26   26                                            
CONECT   45   26   27   27                                            
CONECT   46   11    1                                                 
CONECT   47   12   65                                                 
CONECT   48   65   65                                                 
CONECT   49   65   98                                                 
CONECT   50   65    2                                                 
CONECT   51    4   66                                                 
CONECT   52   66   66                                                 
CONECT   53   66   99                                                 
CONECT   54   66    5                                                 
CONECT   55   13  100                                                 
CONECT   56   14   20                                                 
CONECT   57   21  101                                                 
CONECT   58    3   22                                                 
CONECT   59   28   67                                                 
CONECT   60   67   67                                                 
CONECT   61   67  102                                                 
CONECT   62   67  103                                                 
CONECT   63   29  104                                                 
CONECT   64   30  105                                                 
CONECT   65   47   48   48   49                                       
CONECT   65   50                                                      
CONECT   66   51   52   52   53                                       
CONECT   66   54                                                      
CONECT   67   59   60   60   61                                       
CONECT   67   62                                                      
CONECT   68    1                                                      
CONECT   69    2                                                      
CONECT   70    3                                                      
CONECT   71    4                                                      
CONECT   72    4                                                      
CONECT   73    5                                                      
CONECT   74    7                                                      
CONECT   75   10                                                      
CONECT   76   11                                                      
CONECT   77   12                                                      
CONECT   78   12                                                      
CONECT   79   13                                                      
CONECT   80   14                                                      
CONECT   81   15                                                      
CONECT   82   18                                                      
CONECT   83   20                                                      
CONECT   84   21                                                      
CONECT   85   21                                                      
CONECT   86   22                                                      
CONECT   87   23                                                      
CONECT   88   26                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   31                                                      
CONECT   93   31                                                      
CONECT   94   38                                                      
CONECT   95   38                                                      
CONECT   96   43                                                      
CONECT   97   43                                                      
CONECT   98   49                                                      
CONECT   99   53                                                      
CONECT  100   55                                                      
CONECT  101   57                                                      
CONECT  102   61                                                      
CONECT  103   62                                                      
CONECT  104   63                                                      
CONECT  105   64                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
