COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.773  -1.051   0.085  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.988   0.101   0.830  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.970   0.120   1.801  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.738  -1.006   2.032  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.526  -2.155   1.292  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.546  -2.180   0.320  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.340   0.361  -1.290  1.00  0.00           C  
HETATM    8  C   UNL     1       1.446   2.246  -1.974  1.00  0.00           C  
HETATM    9  C   UNL     1       2.727   2.414  -2.681  1.00  0.00           C  
HETATM   10  C   UNL     1       1.215   2.915  -0.762  1.00  0.00           C  
HETATM   11  C   UNL     1       1.716   1.354   2.344  1.00  0.00           C  
HETATM   12  C   UNL     1       1.927   0.030   1.603  1.00  0.00           C  
HETATM   13  C   UNL     1       3.480  -1.726   1.310  1.00  0.00           C  
HETATM   14  C   UNL     1       2.767  -6.086  -1.024  1.00  0.00           C  
HETATM   15  C   UNL     1       5.213  -5.641  -1.266  1.00  0.00           C  
HETATM   16  C   UNL     1       2.827  -4.030   1.186  1.00  0.00           C  
HETATM   17  C   UNL     1       2.645  -2.764   1.705  1.00  0.00           C  
HETATM   18  C   UNL     1       4.286   0.494   1.282  1.00  0.00           C  
HETATM   19  C   UNL     1       4.172   1.840   2.016  1.00  0.00           C  
HETATM   20  O   UNL     1       1.129   4.132   1.967  1.00  0.00           O  
HETATM   21  S   UNL     1       2.402   3.820   1.419  1.00  0.00           S  
HETATM   22  O   UNL     1       3.560   4.613   1.641  1.00  0.00           O  
HETATM   23  N   UNL     1       2.774   2.293   1.942  1.00  0.00           N  
HETATM   24  N   UNL     1       3.299  -0.444   1.833  1.00  0.00           N  
HETATM   25  C   UNL     1       3.840  -4.267   0.275  1.00  0.00           C  
HETATM   26  C   UNL     1       4.036  -5.650  -0.289  1.00  0.00           C  
HETATM   27  C   UNL     1       4.327  -6.629   0.850  1.00  0.00           C  
HETATM   28  C   UNL     1       4.679  -3.239  -0.113  1.00  0.00           C  
HETATM   29  C   UNL     1       4.499  -1.968   0.398  1.00  0.00           C  
HETATM   30  N   UNL     1       2.198   3.740  -0.222  1.00  0.00           N  
HETATM   31  O   UNL     1       2.942   1.775  -3.847  1.00  0.00           O  
HETATM   32  O   UNL     1       3.591   3.129  -2.211  1.00  0.00           O  
HETATM   33  C   UNL     1       0.450   1.425  -2.510  1.00  0.00           C  
HETATM   34  C   UNL     1       0.004   2.751  -0.102  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.971   1.935  -0.636  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.752   1.273  -1.841  1.00  0.00           C  
HETATM   37  S   UNL     1      -2.006   0.233  -2.512  1.00  0.00           S  
HETATM   38  C   UNL     1      -4.524  -0.500  -1.735  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.632  -0.393  -0.719  1.00  0.00           C  
HETATM   40  O   UNL     1      -5.490   0.303   0.264  1.00  0.00           O  
HETATM   41  N   UNL     1      -6.782  -1.072  -0.903  1.00  0.00           N  
HETATM   42  H   UNL     1      -7.388   0.981   0.651  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.138   1.016   2.381  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.506  -0.988   2.792  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.127  -3.033   1.475  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.381  -3.078  -0.258  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.981   0.013  -0.322  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.658   1.401  -1.207  1.00  0.00           H  
HETATM   49  H   UNL     1       0.742   1.768   2.085  1.00  0.00           H  
HETATM   50  H   UNL     1       1.768   1.184   3.420  1.00  0.00           H  
HETATM   51  H   UNL     1       1.219  -0.711   1.973  1.00  0.00           H  
HETATM   52  H   UNL     1       1.769   0.182   0.535  1.00  0.00           H  
HETATM   53  H   UNL     1       2.908  -7.087  -1.432  1.00  0.00           H  
HETATM   54  H   UNL     1       1.928  -6.093  -0.328  1.00  0.00           H  
HETATM   55  H   UNL     1       2.559  -5.389  -1.836  1.00  0.00           H  
HETATM   56  H   UNL     1       5.006  -4.944  -2.078  1.00  0.00           H  
HETATM   57  H   UNL     1       6.117  -5.331  -0.743  1.00  0.00           H  
HETATM   58  H   UNL     1       5.355  -6.642  -1.674  1.00  0.00           H  
HETATM   59  H   UNL     1       2.178  -4.838   1.493  1.00  0.00           H  
HETATM   60  H   UNL     1       1.854  -2.580   2.418  1.00  0.00           H  
HETATM   61  H   UNL     1       4.096   0.640   0.219  1.00  0.00           H  
HETATM   62  H   UNL     1       5.289   0.089   1.420  1.00  0.00           H  
HETATM   63  H   UNL     1       4.463   1.715   3.058  1.00  0.00           H  
HETATM   64  H   UNL     1       4.820   2.574   1.537  1.00  0.00           H  
HETATM   65  H   UNL     1       4.469  -7.630   0.442  1.00  0.00           H  
HETATM   66  H   UNL     1       5.231  -6.319   1.374  1.00  0.00           H  
HETATM   67  H   UNL     1       3.488  -6.636   1.546  1.00  0.00           H  
HETATM   68  H   UNL     1       5.470  -3.427  -0.825  1.00  0.00           H  
HETATM   69  H   UNL     1       5.150  -1.164   0.089  1.00  0.00           H  
HETATM   70  H   UNL     1       2.763   4.268  -0.808  1.00  0.00           H  
HETATM   71  H   UNL     1       3.799   1.915  -4.274  1.00  0.00           H  
HETATM   72  H   UNL     1       0.618   0.911  -3.445  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.175   3.265   0.831  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.911   1.811  -0.118  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.883  -0.151  -2.703  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.206  -1.539  -1.817  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.923  -1.574  -1.720  1.00  0.00           H  
CONECT    1    2   41    6    6                                       
CONECT    2    3    3    1   42                                       
CONECT    3    2    2    4   43                                       
CONECT    4    3    5    5   44                                       
CONECT    5    4    4    6   45                                       
CONECT    6    1    1    5   46                                       
CONECT    7   38   37   47   48                                       
CONECT    8   10    9   33   33                                       
CONECT    9    8   32   32   31                                       
CONECT   10   30   34   34    8                                       
CONECT   11   23   12   49   50                                       
CONECT   12   24   11   51   52                                       
CONECT   13   29   29   17   24                                       
CONECT   14   26   53   54   55                                       
CONECT   15   26   56   57   58                                       
CONECT   16   25   17   17   59                                       
CONECT   17   16   16   13   60                                       
CONECT   18   19   24   61   62                                       
CONECT   19   18   23   63   64                                       
CONECT   20   21   21                                                 
CONECT   21   23   20   20   22                                       
CONECT   21   22   30                                                 
CONECT   22   21   21                                                 
CONECT   23   19   11   21                                            
CONECT   24   13   18   12                                            
CONECT   25   26   28   28   16                                       
CONECT   26   27   14   15   25                                       
CONECT   27   26   65   66   67                                       
CONECT   28   25   25   29   68                                       
CONECT   29   28   13   13   69                                       
CONECT   30   21   10   70                                            
CONECT   31    9   71                                                 
CONECT   32    9    9                                                 
CONECT   33    8    8   36   72                                       
CONECT   34   10   10   35   73                                       
CONECT   35   34   36   36   74                                       
CONECT   36   35   35   33   37                                       
CONECT   37   36    7                                                 
CONECT   38   39    7   75   76                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39    1   77                                            
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49   11                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   14                                                      
CONECT   55   14                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   31                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   38                                                      
CONECT   76   38                                                      
CONECT   77   41                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
