COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.890  -3.808  -0.152  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.003  -3.682  -0.928  1.00  0.00           N  
HETATM    3  C   UNL     1      -4.040  -4.763  -1.773  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.905  -5.533  -1.466  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.244  -4.891  -0.472  1.00  0.00           N  
HETATM    6  N   UNL     1      -4.862  -5.178  -2.730  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.621  -6.295  -3.384  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.569  -7.051  -3.131  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.690  -6.716  -2.192  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.590  -7.516  -1.934  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.981  -2.593  -0.872  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.131  -2.953   0.095  1.00  0.00           C  
HETATM   13  O   UNL     1      -7.260  -3.444  -0.631  1.00  0.00           O  
HETATM   14  C   UNL     1      -6.473  -1.614   0.787  1.00  0.00           C  
HETATM   15  O   UNL     1      -7.823  -1.238   0.510  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.489  -0.604   0.157  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.381  -1.407  -0.306  1.00  0.00           O  
HETATM   18  C   UNL     1      -5.016   0.405   1.206  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.201   1.397   0.579  1.00  0.00           O  
HETATM   20  P   UNL     1      -3.531   2.619   1.386  1.00  0.00           P  
HETATM   21  O   UNL     1      -2.726   2.087   2.508  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.687   3.579   1.962  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.580   3.459   0.394  1.00  0.00           O  
HETATM   24  P   UNL     1      -1.361   4.486   0.618  1.00  0.00           P  
HETATM   25  O   UNL     1      -1.937   5.903   1.120  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.437   3.940   1.638  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.569   4.689  -0.769  1.00  0.00           O  
HETATM   28  C   UNL     1       0.628   5.462  -0.876  1.00  0.00           C  
HETATM   29  C   UNL     1       1.116   5.449  -2.326  1.00  0.00           C  
HETATM   30  C   UNL     1       2.398   6.276  -2.440  1.00  0.00           C  
HETATM   31  C   UNL     1       1.399   4.008  -2.755  1.00  0.00           C  
HETATM   32  C   UNL     1       0.039   6.049  -3.232  1.00  0.00           C  
HETATM   33  O   UNL     1       2.106   7.648  -2.167  1.00  0.00           O  
HETATM   34  C   UNL     1       3.412   5.771  -1.447  1.00  0.00           C  
HETATM   35  O   UNL     1       3.697   6.441  -0.476  1.00  0.00           O  
HETATM   36  N   UNL     1       4.003   4.575  -1.636  1.00  0.00           N  
HETATM   37  C   UNL     1       4.910   4.036  -0.619  1.00  0.00           C  
HETATM   38  C   UNL     1       5.440   2.676  -1.077  1.00  0.00           C  
HETATM   39  C   UNL     1       6.373   2.122  -0.031  1.00  0.00           C  
HETATM   40  O   UNL     1       6.592   2.753   0.982  1.00  0.00           O  
HETATM   41  N   UNL     1       6.964   0.926  -0.221  1.00  0.00           N  
HETATM   42  C   UNL     1       7.871   0.387   0.797  1.00  0.00           C  
HETATM   43  C   UNL     1       8.401  -0.972   0.338  1.00  0.00           C  
HETATM   44  P   UNL     1      -8.920  -0.998   1.663  1.00  0.00           P  
HETATM   45  O   UNL     1     -10.286  -0.461   1.001  1.00  0.00           O  
HETATM   46  O   UNL     1      -9.205  -2.384   2.431  1.00  0.00           O  
HETATM   47  O   UNL     1      -8.413   0.004   2.627  1.00  0.00           O  
HETATM   48  S   UNL     1       9.521  -1.638   1.595  1.00  0.00           S  
HETATM   49  C   UNL     1       9.957  -3.117   0.852  1.00  0.00           C  
HETATM   50  O   UNL     1       9.498  -3.409  -0.233  1.00  0.00           O  
HETATM   51  C   UNL     1      10.910  -4.057   1.545  1.00  0.00           C  
HETATM   52  C   UNL     1      10.320  -4.479   2.892  1.00  0.00           C  
HETATM   53  C   UNL     1      11.126  -5.276   0.686  1.00  0.00           C  
HETATM   54  O   UNL     1      10.564  -5.373  -0.379  1.00  0.00           O  
HETATM   55  O   UNL     1      11.943  -6.256   1.105  1.00  0.00           O  
HETATM   56  H   UNL     1      -2.586  -3.109   0.613  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.310  -6.604  -4.156  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.956  -7.260  -1.245  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.453  -8.330  -2.442  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.372  -2.382  -1.867  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.798  -3.688   0.828  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.084  -4.251  -1.133  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.308  -1.687   1.862  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.959  -0.088  -0.680  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.881   0.883   1.666  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.437  -0.111   1.971  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.255   3.965   1.281  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.551   6.320   0.500  1.00  0.00           H  
HETATM   69  H   UNL     1       0.426   6.489  -0.570  1.00  0.00           H  
HETATM   70  H   UNL     1       1.395   5.035  -0.230  1.00  0.00           H  
HETATM   71  H   UNL     1       2.801   6.185  -3.449  1.00  0.00           H  
HETATM   72  H   UNL     1       0.468   3.442  -2.764  1.00  0.00           H  
HETATM   73  H   UNL     1       1.836   4.005  -3.754  1.00  0.00           H  
HETATM   74  H   UNL     1       2.096   3.550  -2.053  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.249   7.030  -2.854  1.00  0.00           H  
HETATM   76  H   UNL     1       0.431   6.150  -4.244  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.832   5.394  -3.244  1.00  0.00           H  
HETATM   78  H   UNL     1       1.743   7.804  -1.284  1.00  0.00           H  
HETATM   79  H   UNL     1       3.829   4.070  -2.446  1.00  0.00           H  
HETATM   80  H   UNL     1       5.745   4.722  -0.476  1.00  0.00           H  
HETATM   81  H   UNL     1       4.372   3.918   0.322  1.00  0.00           H  
HETATM   82  H   UNL     1       4.606   1.990  -1.220  1.00  0.00           H  
HETATM   83  H   UNL     1       5.979   2.794  -2.018  1.00  0.00           H  
HETATM   84  H   UNL     1       6.789   0.421  -1.030  1.00  0.00           H  
HETATM   85  H   UNL     1       8.705   1.074   0.939  1.00  0.00           H  
HETATM   86  H   UNL     1       7.332   0.269   1.737  1.00  0.00           H  
HETATM   87  H   UNL     1       7.567  -1.659   0.195  1.00  0.00           H  
HETATM   88  H   UNL     1       8.939  -0.854  -0.602  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.994  -0.294   1.639  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.540  -3.088   1.859  1.00  0.00           H  
HETATM   91  H   UNL     1      11.863  -3.553   1.707  1.00  0.00           H  
HETATM   92  H   UNL     1      11.010  -5.159   3.393  1.00  0.00           H  
HETATM   93  H   UNL     1      10.164  -3.597   3.513  1.00  0.00           H  
HETATM   94  H   UNL     1       9.367  -4.983   2.730  1.00  0.00           H  
HETATM   95  H   UNL     1      12.050  -7.018   0.520  1.00  0.00           H  
CONECT    1    5    5    2   56                                       
CONECT    2    1    3   11                                            
CONECT    3    4    2    6    6                                       
CONECT    4    5    9    9    3                                       
CONECT    5    4    1    1                                            
CONECT    6    3    3    7                                            
CONECT    7    8    8    6   57                                       
CONECT    8    9    7    7                                            
CONECT    9   10    4    4    8                                       
CONECT   10    9   58   59                                            
CONECT   11    2   12   17   60                                       
CONECT   12   13   11   14   61                                       
CONECT   13   12   62                                                 
CONECT   14   12   16   15   63                                       
CONECT   15   14   44                                                 
CONECT   16   14   18   17   64                                       
CONECT   17   11   16                                                 
CONECT   18   19   16   65   66                                       
CONECT   19   20   18                                                 
CONECT   20   21   21   23   22                                       
CONECT   20   19                                                      
CONECT   21   20   20                                                 
CONECT   22   20   67                                                 
CONECT   23   20   24                                                 
CONECT   24   23   27   26   26                                       
CONECT   24   25                                                      
CONECT   25   24   68                                                 
CONECT   26   24   24                                                 
CONECT   27   28   24                                                 
CONECT   28   27   29   69   70                                       
CONECT   29   30   28   32   31                                       
CONECT   30   33   34   29   71                                       
CONECT   31   29   72   73   74                                       
CONECT   32   29   75   76   77                                       
CONECT   33   30   78                                                 
CONECT   34   36   30   35   35                                       
CONECT   35   34   34                                                 
CONECT   36   37   34   79                                            
CONECT   37   38   36   80   81                                       
CONECT   38   39   37   82   83                                       
CONECT   39   41   40   40   38                                       
CONECT   40   39   39                                                 
CONECT   41   42   39   84                                            
CONECT   42   43   41   85   86                                       
CONECT   43   48   42   87   88                                       
CONECT   44   47   47   15   45                                       
CONECT   44   46                                                      
CONECT   45   44   89                                                 
CONECT   46   44   90                                                 
CONECT   47   44   44                                                 
CONECT   48   43   49                                                 
CONECT   49   48   51   50   50                                       
CONECT   50   49   49                                                 
CONECT   51   52   53   49   91                                       
CONECT   52   51   92   93   94                                       
CONECT   53   54   54   51   55                                       
CONECT   54   53   53                                                 
CONECT   55   53   95                                                 
CONECT   56    1                                                      
CONECT   57    7                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   16                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   22                                                      
CONECT   68   25                                                      
CONECT   69   28                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   41                                                      
CONECT   85   42                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   45                                                      
CONECT   90   46                                                      
CONECT   91   51                                                      
CONECT   92   52                                                      
CONECT   93   52                                                      
CONECT   94   52                                                      
CONECT   95   55                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
