COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.399   1.002   0.814  1.00  0.00           C  
HETATM    2  C   UNL     1      13.570   1.532   1.218  1.00  0.00           C  
HETATM    3  C   UNL     1      15.597   2.867   0.675  1.00  0.00           C  
HETATM    4  C   UNL     1      14.466   2.170   0.240  1.00  0.00           C  
HETATM    5  C   UNL     1      14.190   2.080  -1.128  1.00  0.00           C  
HETATM    6  C   UNL     1      15.036   2.682  -2.043  1.00  0.00           C  
HETATM    7  C   UNL     1      16.158   3.372  -1.606  1.00  0.00           C  
HETATM    8  C   UNL     1      16.437   3.465  -0.250  1.00  0.00           C  
HETATM    9  S   UNL     1      11.431   0.046   1.933  1.00  0.00           S  
HETATM   10  O   UNL     1      11.963   1.209  -0.452  1.00  0.00           O  
HETATM   11  O   UNL     1      14.768   2.595  -3.373  1.00  0.00           O  
HETATM   12  O   UNL     1      17.536   4.143   0.172  1.00  0.00           O  
HETATM   13  P   UNL     1      -6.051  -2.738  -1.169  1.00  0.00           P  
HETATM   14  P   UNL     1      -3.498  -4.240  -1.274  1.00  0.00           P  
HETATM   15  P   UNL     1     -11.331   0.668   1.320  1.00  0.00           P  
HETATM   16  C   UNL     1      10.035  -0.376   0.861  1.00  0.00           C  
HETATM   17  C   UNL     1       9.033  -1.230   1.641  1.00  0.00           C  
HETATM   18  N   UNL     1       7.903  -1.571   0.773  1.00  0.00           N  
HETATM   19  C   UNL     1       6.891  -2.323   1.249  1.00  0.00           C  
HETATM   20  O   UNL     1       6.916  -2.718   2.396  1.00  0.00           O  
HETATM   21  C   UNL     1       5.729  -2.675   0.356  1.00  0.00           C  
HETATM   22  C   UNL     1       4.727  -3.529   1.136  1.00  0.00           C  
HETATM   23  N   UNL     1       3.597  -3.870   0.268  1.00  0.00           N  
HETATM   24  C   UNL     1       2.585  -4.622   0.744  1.00  0.00           C  
HETATM   25  O   UNL     1       2.563  -4.938   1.915  1.00  0.00           O  
HETATM   26  C   UNL     1      -7.629  -0.651  -0.627  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.466  -1.428  -0.331  1.00  0.00           O  
HETATM   28  C   UNL     1      -7.725   0.518   0.357  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.635   1.429   0.141  1.00  0.00           O  
HETATM   30  C   UNL     1      -9.031   1.299   0.115  1.00  0.00           C  
HETATM   31  O   UNL     1      -9.845   1.288   1.289  1.00  0.00           O  
HETATM   32  C   UNL     1      -8.558   2.739  -0.202  1.00  0.00           C  
HETATM   33  O   UNL     1      -9.399   3.704   0.433  1.00  0.00           O  
HETATM   34  C   UNL     1      -7.135   2.756   0.412  1.00  0.00           C  
HETATM   35  N   UNL     1      -5.527   7.695   0.354  1.00  0.00           N  
HETATM   36  O   UNL     1      -5.951  -2.395  -2.605  1.00  0.00           O  
HETATM   37  C   UNL     1      -6.367   7.110   1.189  1.00  0.00           C  
HETATM   38  O   UNL     1      -7.168  -3.880  -0.967  1.00  0.00           O  
HETATM   39  N   UNL     1      -6.691   5.838   1.089  1.00  0.00           N  
HETATM   40  O   UNL     1      -4.629  -3.281  -0.646  1.00  0.00           O  
HETATM   41  C   UNL     1      -6.176   5.081   0.126  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.249  -3.853  -2.681  1.00  0.00           O  
HETATM   43  C   UNL     1      -5.278   5.657  -0.788  1.00  0.00           C  
HETATM   44  O   UNL     1      -3.999  -5.769  -1.219  1.00  0.00           O  
HETATM   45  C   UNL     1      -4.962   7.018  -0.641  1.00  0.00           C  
HETATM   46  N   UNL     1      -4.084   7.640  -1.511  1.00  0.00           N  
HETATM   47  O   UNL     1      -2.137  -4.090  -0.428  1.00  0.00           O  
HETATM   48  N   UNL     1      -4.908   4.682  -1.653  1.00  0.00           N  
HETATM   49  O   UNL     1     -11.291  -0.733   0.844  1.00  0.00           O  
HETATM   50  C   UNL     1      -5.508   3.572  -1.336  1.00  0.00           C  
HETATM   51  O   UNL     1     -11.898   0.707   2.826  1.00  0.00           O  
HETATM   52  N   UNL     1      -6.301   3.766  -0.245  1.00  0.00           N  
HETATM   53  O   UNL     1     -12.293   1.533   0.362  1.00  0.00           O  
HETATM   54  C   UNL     1       1.481  -5.071  -0.179  1.00  0.00           C  
HETATM   55  O   UNL     1       1.814  -4.724  -1.524  1.00  0.00           O  
HETATM   56  C   UNL     1       0.174  -4.382   0.217  1.00  0.00           C  
HETATM   57  C   UNL     1      -0.916  -4.734  -0.798  1.00  0.00           C  
HETATM   58  C   UNL     1      -0.252  -4.857   1.608  1.00  0.00           C  
HETATM   59  C   UNL     1       0.382  -2.866   0.238  1.00  0.00           C  
HETATM   60  H   UNL     1      13.851   1.489   2.260  1.00  0.00           H  
HETATM   61  H   UNL     1      15.813   2.943   1.730  1.00  0.00           H  
HETATM   62  H   UNL     1      13.318   1.542  -1.469  1.00  0.00           H  
HETATM   63  H   UNL     1      16.816   3.839  -2.324  1.00  0.00           H  
HETATM   64  H   UNL     1      14.215   3.313  -3.710  1.00  0.00           H  
HETATM   65  H   UNL     1      18.331   3.597   0.247  1.00  0.00           H  
HETATM   66  H   UNL     1       9.547   0.539   0.523  1.00  0.00           H  
HETATM   67  H   UNL     1      10.396  -0.936  -0.002  1.00  0.00           H  
HETATM   68  H   UNL     1       9.521  -2.144   1.979  1.00  0.00           H  
HETATM   69  H   UNL     1       8.672  -0.670   2.504  1.00  0.00           H  
HETATM   70  H   UNL     1       7.884  -1.256  -0.144  1.00  0.00           H  
HETATM   71  H   UNL     1       5.241  -1.760   0.018  1.00  0.00           H  
HETATM   72  H   UNL     1       6.090  -3.234  -0.507  1.00  0.00           H  
HETATM   73  H   UNL     1       5.215  -4.443   1.474  1.00  0.00           H  
HETATM   74  H   UNL     1       4.366  -2.969   1.999  1.00  0.00           H  
HETATM   75  H   UNL     1       3.578  -3.555  -0.649  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.559  -0.265  -1.644  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.517  -1.276  -0.536  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.698   0.144   1.380  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.576   0.880  -0.730  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.519   2.908  -1.278  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.143   4.621   0.264  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.183   2.936   1.486  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.803   7.697   1.984  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.288  -4.155  -0.048  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.182  -6.090  -0.326  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.875   8.581  -1.399  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.678   7.136  -2.233  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.394   2.634  -1.860  1.00  0.00           H  
HETATM   89  H   UNL     1     -12.791   0.348   2.920  1.00  0.00           H  
HETATM   90  H   UNL     1     -12.367   2.463   0.615  1.00  0.00           H  
HETATM   91  H   UNL     1       1.360  -6.152  -0.102  1.00  0.00           H  
HETATM   92  H   UNL     1       1.937  -3.775  -1.666  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.064  -5.814  -0.812  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.612  -4.396  -1.788  1.00  0.00           H  
HETATM   95  H   UNL     1       0.487  -4.538   2.343  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.222  -4.427   1.858  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.324  -5.945   1.614  1.00  0.00           H  
HETATM   98  H   UNL     1       0.685  -2.528  -0.753  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.549  -2.376   0.520  1.00  0.00           H  
HETATM  100  H   UNL     1       1.158  -2.616   0.961  1.00  0.00           H  
HETATM  101  H   UNL     1      11.114   0.790  -0.650  1.00  0.00           H  
CONECT    1    2    2    9   10                                       
CONECT    2    1    1    4   60                                       
CONECT    3    4    4    8   61                                       
CONECT    4    2    3    3    5                                       
CONECT    5    4    6    6   62                                       
CONECT    6    5    5    7   11                                       
CONECT    7    6    8    8   63                                       
CONECT    8    3    7    7   12                                       
CONECT    9    1   16                                                 
CONECT   10    1  101                                                 
CONECT   11    6   64                                                 
CONECT   12    8   65                                                 
CONECT   13   27   36   36   38                                       
CONECT   13   40                                                      
CONECT   14   40   42   42   44                                       
CONECT   14   47                                                      
CONECT   15   31   49   49   51                                       
CONECT   15   53                                                      
CONECT   16    9   17   66   67                                       
CONECT   17   16   18   68   69                                       
CONECT   18   17   19   70                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   71   72                                       
CONECT   22   21   23   73   74                                       
CONECT   23   22   24   75                                            
CONECT   24   23   25   25   54                                       
CONECT   25   24   24                                                 
CONECT   26   27   28   76   77                                       
CONECT   27   13   26                                                 
CONECT   28   26   29   30   78                                       
CONECT   29   28   34                                                 
CONECT   30   28   31   32   79                                       
CONECT   31   15   30                                                 
CONECT   32   30   33   34   80                                       
CONECT   33   32   81                                                 
CONECT   34   29   32   52   82                                       
CONECT   35   37   37   45                                            
CONECT   36   13   13                                                 
CONECT   37   35   35   39   83                                       
CONECT   38   13   84                                                 
CONECT   39   37   41   41                                            
CONECT   40   13   14                                                 
CONECT   41   39   39   43   52                                       
CONECT   42   14   14                                                 
CONECT   43   41   45   45   48                                       
CONECT   44   14   85                                                 
CONECT   45   35   43   43   46                                       
CONECT   46   45   86   87                                            
CONECT   47   14   57                                                 
CONECT   48   43   50   50                                            
CONECT   49   15   15                                                 
CONECT   50   48   48   52   88                                       
CONECT   51   15   89                                                 
CONECT   52   34   41   50                                            
CONECT   53   15   90                                                 
CONECT   54   24   55   56   91                                       
CONECT   55   54   92                                                 
CONECT   56   54   57   58   59                                       
CONECT   57   47   56   93   94                                       
CONECT   58   56   95   96   97                                       
CONECT   59   56   98   99  100                                       
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    5                                                      
CONECT   63    7                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   26                                                      
CONECT   77   26                                                      
CONECT   78   28                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   34                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   44                                                      
CONECT   86   46                                                      
CONECT   87   46                                                      
CONECT   88   50                                                      
CONECT   89   51                                                      
CONECT   90   53                                                      
CONECT   91   54                                                      
CONECT   92   55                                                      
CONECT   93   57                                                      
CONECT   94   57                                                      
CONECT   95   58                                                      
CONECT   96   58                                                      
CONECT   97   58                                                      
CONECT   98   59                                                      
CONECT   99   59                                                      
CONECT  100   59                                                      
CONECT  101   10                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
