COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -13.715  -2.114  -1.139  1.00  0.00           C  
HETATM    2  O   UNL     1     -13.373  -1.577  -2.329  1.00  0.00           O1-
HETATM    3  C   UNL     1     -14.838  -2.911  -1.039  1.00  0.00           C  
HETATM    4  C   UNL     1     -15.190  -3.465   0.187  1.00  0.00           C  
HETATM    5  O   UNL     1     -14.508  -3.248   1.171  1.00  0.00           O  
HETATM    6  C   UNL     1     -16.415  -4.335   0.296  1.00  0.00           C  
HETATM    7  N   UNL     1       6.868  -7.522   1.067  1.00  0.00           N  
HETATM    8  O   UNL     1       3.917   2.034  -2.780  1.00  0.00           O  
HETATM    9  P   UNL     1       4.207   2.542  -1.281  1.00  0.00           P  
HETATM   10  C   UNL     1       6.896  -2.362   0.472  1.00  0.00           C  
HETATM   11  S   UNL     1     -12.724  -1.806   0.284  1.00  0.00           S  
HETATM   12  C   UNL     1       7.333  -6.599   1.889  1.00  0.00           C  
HETATM   13  O   UNL     1       5.012   3.783  -1.327  1.00  0.00           O  
HETATM   14  P   UNL     1       1.720   4.015  -0.624  1.00  0.00           P  
HETATM   15  C   UNL     1       8.342  -1.988   0.078  1.00  0.00           C  
HETATM   16  O   UNL     1       9.247  -2.307   1.136  1.00  0.00           O  
HETATM   17  C   UNL     1     -11.452  -0.743  -0.443  1.00  0.00           C  
HETATM   18  N   UNL     1       7.276  -5.313   1.612  1.00  0.00           N  
HETATM   19  O   UNL     1       2.812   2.835  -0.533  1.00  0.00           O  
HETATM   20  C   UNL     1       8.286  -0.461  -0.150  1.00  0.00           C  
HETATM   21  O   UNL     1       9.155   0.213   0.762  1.00  0.00           O  
HETATM   22  P   UNL     1      10.362   1.164   0.282  1.00  0.00           P  
HETATM   23  C   UNL     1     -10.448  -0.336   0.638  1.00  0.00           C  
HETATM   24  C   UNL     1       6.738  -4.889   0.474  1.00  0.00           C  
HETATM   25  O   UNL     1       1.449   4.327  -2.045  1.00  0.00           O  
HETATM   26  C   UNL     1       6.813  -0.093   0.133  1.00  0.00           C  
HETATM   27  O   UNL     1       6.077  -1.315  -0.093  1.00  0.00           O  
HETATM   28  N   UNL     1      -9.418   0.524   0.050  1.00  0.00           N  
HETATM   29  C   UNL     1     -15.682  -3.180  -2.258  1.00  0.00           C  
HETATM   30  C   UNL     1       6.229  -5.832  -0.435  1.00  0.00           C  
HETATM   31  O   UNL     1       2.288   5.328   0.114  1.00  0.00           O  
HETATM   32  C   UNL     1       6.342   0.998  -0.830  1.00  0.00           C  
HETATM   33  O   UNL     1       5.018   1.406  -0.477  1.00  0.00           O  
HETATM   34  C   UNL     1      -8.423   1.007   0.819  1.00  0.00           C  
HETATM   35  O   UNL     1      -8.379   0.729   1.999  1.00  0.00           O  
HETATM   36  C   UNL     1       6.312  -7.193  -0.094  1.00  0.00           C  
HETATM   37  N   UNL     1       5.828  -8.168  -0.949  1.00  0.00           N  
HETATM   38  O   UNL     1       0.358   3.542   0.092  1.00  0.00           O  
HETATM   39  C   UNL     1      -7.364   1.891   0.214  1.00  0.00           C  
HETATM   40  N   UNL     1       5.746  -5.144  -1.497  1.00  0.00           N  
HETATM   41  O   UNL     1       9.763   2.449  -0.481  1.00  0.00           O  
HETATM   42  C   UNL     1      -6.360   2.298   1.295  1.00  0.00           C  
HETATM   43  C   UNL     1       5.922  -3.869  -1.303  1.00  0.00           C  
HETATM   44  O   UNL     1      11.207   1.648   1.565  1.00  0.00           O  
HETATM   45  N   UNL     1      -5.330   3.158   0.706  1.00  0.00           N  
HETATM   46  N   UNL     1       6.530  -3.660  -0.101  1.00  0.00           N  
HETATM   47  O   UNL     1      11.247   0.413  -0.636  1.00  0.00           O  
HETATM   48  C   UNL     1      -4.335   3.641   1.476  1.00  0.00           C  
HETATM   49  O   UNL     1      -4.341   3.440   2.672  1.00  0.00           O  
HETATM   50  C   UNL     1      -3.213   4.429   0.850  1.00  0.00           C  
HETATM   51  O   UNL     1      -3.559   4.763  -0.496  1.00  0.00           O  
HETATM   52  C   UNL     1      -1.935   3.589   0.854  1.00  0.00           C  
HETATM   53  C   UNL     1      -0.836   4.327   0.088  1.00  0.00           C  
HETATM   54  C   UNL     1      -1.482   3.356   2.297  1.00  0.00           C  
HETATM   55  C   UNL     1      -2.208   2.241   0.182  1.00  0.00           C  
HETATM   56  H   UNL     1     -16.142  -5.374   0.111  1.00  0.00           H  
HETATM   57  H   UNL     1     -16.838  -4.244   1.297  1.00  0.00           H  
HETATM   58  H   UNL     1     -17.153  -4.017  -0.440  1.00  0.00           H  
HETATM   59  H   UNL     1       3.393   1.223  -2.827  1.00  0.00           H  
HETATM   60  H   UNL     1       6.790  -2.384   1.556  1.00  0.00           H  
HETATM   61  H   UNL     1       7.776  -6.910   2.823  1.00  0.00           H  
HETATM   62  H   UNL     1       8.632  -2.501  -0.839  1.00  0.00           H  
HETATM   63  H   UNL     1       9.276  -3.247   1.360  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.934  -1.285  -1.234  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.918   0.150  -0.859  1.00  0.00           H  
HETATM   66  H   UNL     1       8.549  -0.219  -1.180  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.966   0.206   1.429  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.981  -1.229   1.055  1.00  0.00           H  
HETATM   69  H   UNL     1       6.695   0.235   1.166  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.453   0.746  -0.894  1.00  0.00           H  
HETATM   71  H   UNL     1     -15.316  -4.074  -2.763  1.00  0.00           H  
HETATM   72  H   UNL     1     -16.718  -3.332  -1.956  1.00  0.00           H  
HETATM   73  H   UNL     1       2.488   5.197   1.051  1.00  0.00           H  
HETATM   74  H   UNL     1       7.014   1.854  -0.767  1.00  0.00           H  
HETATM   75  H   UNL     1       6.343   0.609  -1.848  1.00  0.00           H  
HETATM   76  H   UNL     1       5.892  -9.104  -0.703  1.00  0.00           H  
HETATM   77  H   UNL     1       5.425  -7.915  -1.794  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.846   1.349  -0.577  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.831   2.784  -0.203  1.00  0.00           H  
HETATM   80  H   UNL     1       9.172   2.989   0.062  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.878   2.840   2.086  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.893   1.406   1.711  1.00  0.00           H  
HETATM   83  H   UNL     1       5.629  -3.091  -1.992  1.00  0.00           H  
HETATM   84  H   UNL     1      11.952   2.226   1.351  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.365   3.381  -0.237  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.049   5.343   1.421  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.720   3.997  -1.062  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.641   5.287   0.567  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.158   4.493  -0.940  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.231   2.762   2.821  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.531   2.824   2.298  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.363   4.315   2.800  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.530   2.407  -0.846  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.297   1.643   0.185  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.991   1.715   0.728  1.00  0.00           H  
HETATM   96  H   UNL     1     -15.622  -2.329  -2.937  1.00  0.00           H  
CONECT    1   11    2    3    3                                       
CONECT    2    1                                                      
CONECT    3    1    1    4   29                                       
CONECT    4    3    6    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    4   56   57   58                                       
CONECT    7   12   12   36                                            
CONECT    8    9   59                                                 
CONECT    9    8   13   13   33                                       
CONECT    9   19                                                      
CONECT   10   15   27   46   60                                       
CONECT   11    1   17                                                 
CONECT   12    7    7   18   61                                       
CONECT   13    9    9                                                 
CONECT   14   25   25   19   31                                       
CONECT   14   38                                                      
CONECT   15   10   16   20   62                                       
CONECT   16   15   63                                                 
CONECT   17   11   23   64   65                                       
CONECT   18   12   24   24                                            
CONECT   19    9   14                                                 
CONECT   20   15   21   26   66                                       
CONECT   21   20   22                                                 
CONECT   22   21   47   47   44                                       
CONECT   22   41                                                      
CONECT   23   17   28   67   68                                       
CONECT   24   18   18   46   30                                       
CONECT   25   14   14                                                 
CONECT   26   20   27   32   69                                       
CONECT   27   10   26                                                 
CONECT   28   23   34   70                                            
CONECT   29    3   71   72   96                                       
CONECT   30   24   36   36   40                                       
CONECT   31   14   73                                                 
CONECT   32   26   33   74   75                                       
CONECT   33    9   32                                                 
CONECT   34   28   39   35   35                                       
CONECT   35   34   34                                                 
CONECT   36    7   30   30   37                                       
CONECT   37   36   76   77                                            
CONECT   38   14   53                                                 
CONECT   39   34   42   78   79                                       
CONECT   40   30   43   43                                            
CONECT   41   22   80                                                 
CONECT   42   39   45   81   82                                       
CONECT   43   40   40   46   83                                       
CONECT   44   22   84                                                 
CONECT   45   42   48   85                                            
CONECT   46   10   24   43                                            
CONECT   47   22   22                                                 
CONECT   48   45   50   49   49                                       
CONECT   49   48   48                                                 
CONECT   50   48   51   52   86                                       
CONECT   51   50   87                                                 
CONECT   52   50   53   55   54                                       
CONECT   53   38   52   88   89                                       
CONECT   54   52   90   91   92                                       
CONECT   55   52   93   94   95                                       
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    8                                                      
CONECT   60   10                                                      
CONECT   61   12                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   20                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   45                                                      
CONECT   86   50                                                      
CONECT   87   51                                                      
CONECT   88   53                                                      
CONECT   89   53                                                      
CONECT   90   54                                                      
CONECT   91   54                                                      
CONECT   92   54                                                      
CONECT   93   55                                                      
CONECT   94   55                                                      
CONECT   95   55                                                      
CONECT   96   29                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
