COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.484  -2.345   0.595  1.00  0.00           O  
HETATM    2  S   UNL     1       2.493  -1.475   1.089  1.00  0.00           S  
HETATM    3  O   UNL     1       3.127  -1.656   2.347  1.00  0.00           O  
HETATM    4  C   UNL     1       3.777  -1.466  -0.119  1.00  0.00           C  
HETATM    5  C   UNL     1       3.490  -1.789  -1.438  1.00  0.00           C  
HETATM    6  C   UNL     1       4.469  -1.787  -2.384  1.00  0.00           C  
HETATM    7  C   UNL     1       5.062  -1.134   0.247  1.00  0.00           C  
HETATM    8  C   UNL     1       6.076  -1.127  -0.708  1.00  0.00           C  
HETATM    9  C   UNL     1       5.795  -1.457  -2.039  1.00  0.00           C  
HETATM   10  N   UNL     1       6.896  -1.396  -2.812  1.00  0.00           N  
HETATM   11  S   UNL     1       7.794  -0.758  -0.590  1.00  0.00           S  
HETATM   12  C   UNL     1       8.000  -1.067  -2.256  1.00  0.00           C  
HETATM   13  N   UNL     1       1.832   0.043   1.112  1.00  0.00           N  
HETATM   14  C   UNL     1       2.373   1.064   2.012  1.00  0.00           C  
HETATM   15  C   UNL     1       3.395   1.918   1.258  1.00  0.00           C  
HETATM   16  C   UNL     1       3.960   2.984   2.198  1.00  0.00           C  
HETATM   17  C   UNL     1       4.982   3.838   1.445  1.00  0.00           C  
HETATM   18  C   UNL     1       5.548   4.905   2.385  1.00  0.00           C  
HETATM   19  C   UNL     1       0.705   0.364   0.233  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.608   0.177   0.997  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.677   1.126   2.063  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.786   0.392   0.045  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.039   0.097   0.745  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.129  -0.277   0.047  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.074  -0.369  -1.161  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.418  -0.581   0.767  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.194  -1.733   1.748  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.503  -2.042   2.480  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.734  -2.974   0.981  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.444  -0.961  -0.207  1.00  0.00           N  
HETATM   31  C   UNL     1      -7.748  -0.793   0.087  1.00  0.00           C  
HETATM   32  O   UNL     1      -8.073  -0.326   1.159  1.00  0.00           O  
HETATM   33  C   UNL     1      -8.804  -1.184  -0.915  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.799   1.846  -0.432  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.884   2.027  -1.462  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.606   1.827  -2.801  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.601   1.993  -3.746  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.874   2.359  -3.352  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.153   2.559  -2.012  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.159   2.388  -1.067  1.00  0.00           C  
HETATM   41  H   UNL     1       2.479  -2.044  -1.717  1.00  0.00           H  
HETATM   42  H   UNL     1       4.228  -2.041  -3.406  1.00  0.00           H  
HETATM   43  H   UNL     1       5.283  -0.879   1.273  1.00  0.00           H  
HETATM   44  H   UNL     1       8.943  -0.987  -2.777  1.00  0.00           H  
HETATM   45  H   UNL     1       1.563   1.699   2.371  1.00  0.00           H  
HETATM   46  H   UNL     1       2.858   0.581   2.860  1.00  0.00           H  
HETATM   47  H   UNL     1       4.205   1.283   0.900  1.00  0.00           H  
HETATM   48  H   UNL     1       2.910   2.401   0.410  1.00  0.00           H  
HETATM   49  H   UNL     1       3.150   3.619   2.557  1.00  0.00           H  
HETATM   50  H   UNL     1       4.446   2.501   3.046  1.00  0.00           H  
HETATM   51  H   UNL     1       5.792   3.203   1.086  1.00  0.00           H  
HETATM   52  H   UNL     1       4.497   4.322   0.597  1.00  0.00           H  
HETATM   53  H   UNL     1       6.276   5.513   1.848  1.00  0.00           H  
HETATM   54  H   UNL     1       4.738   5.540   2.743  1.00  0.00           H  
HETATM   55  H   UNL     1       6.033   4.421   3.233  1.00  0.00           H  
HETATM   56  H   UNL     1       0.787   1.399  -0.100  1.00  0.00           H  
HETATM   57  H   UNL     1       0.719  -0.298  -0.633  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.650  -0.832   1.405  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.645   2.048   1.772  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.685  -0.271  -0.814  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.084   0.170   1.711  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.746   0.303   1.314  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.431  -1.450   2.473  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.266  -2.325   1.755  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.343  -2.862   3.179  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.830  -1.157   3.026  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.802  -2.755   0.460  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.575  -3.795   1.680  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.498  -3.257   0.256  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.185  -1.334  -1.064  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.719  -2.248  -1.135  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.791  -0.975  -0.502  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.665  -0.611  -1.831  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.989   2.504   0.416  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.834   2.091  -0.874  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.611   1.541  -3.109  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.383   1.838  -4.792  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.652   2.490  -4.090  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.147   2.845  -1.704  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.377   2.540  -0.020  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2   13    4                                                 
CONECT    3    2    2                                                 
CONECT    4    2    7    7    5                                       
CONECT    5    4    6    6   41                                       
CONECT    6    5    5    9   42                                       
CONECT    7    4    4    8   43                                       
CONECT    8    7   11    9    9                                       
CONECT    9    6    8    8   10                                       
CONECT   10    9   12   12                                            
CONECT   11    8   12                                                 
CONECT   12   10   10   11   44                                       
CONECT   13    2   19   14                                            
CONECT   14   13   15   45   46                                       
CONECT   15   14   16   47   48                                       
CONECT   16   15   17   49   50                                       
CONECT   17   16   18   51   52                                       
CONECT   18   17   53   54   55                                       
CONECT   19   13   20   56   57                                       
CONECT   20   19   22   21   58                                       
CONECT   21   20   59                                                 
CONECT   22   20   23   34   60                                       
CONECT   23   22   24   61                                            
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   30   27   62                                       
CONECT   27   26   28   29   63                                       
CONECT   28   27   64   65   66                                       
CONECT   29   27   67   68   69                                       
CONECT   30   26   31   70                                            
CONECT   31   30   33   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   31   71   72   73                                       
CONECT   34   22   35   74   75                                       
CONECT   35   34   40   40   36                                       
CONECT   36   35   37   37   76                                       
CONECT   37   36   36   38   77                                       
CONECT   38   37   39   39   78                                       
CONECT   39   38   38   40   79                                       
CONECT   40   35   35   39   80                                       
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   30                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   38                                                      
CONECT   79   39                                                      
CONECT   80   40                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
