COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.327   1.008   0.188  1.00  0.00           C  
HETATM    2  C   UNL     1       0.588   2.495  -0.023  1.00  0.00           C  
HETATM    3  C   UNL     1       3.003   3.137   0.134  1.00  0.00           C  
HETATM    4  C   UNL     1       4.134   3.233   2.242  1.00  0.00           C  
HETATM    5  C   UNL     1       1.595   0.566  -1.211  1.00  0.00           C  
HETATM    6  C   UNL     1       5.126  -0.493  -0.720  1.00  0.00           C  
HETATM    7  C   UNL     1       7.489  -1.239  -0.807  1.00  0.00           C  
HETATM    8  C   UNL     1       8.839  -2.762   0.442  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.076  -3.475   1.907  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.053  -3.776   0.809  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.645  -3.765   1.407  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.341  -5.153   0.207  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.919  -1.490   0.137  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.743   0.885  -0.379  1.00  0.00           C  
HETATM   15  C   UNL     1       0.468   0.997  -0.308  1.00  0.00           C  
HETATM   16  C   UNL     1       1.839   2.756   0.776  1.00  0.00           C  
HETATM   17  C   UNL     1       4.150   3.376   0.867  1.00  0.00           C  
HETATM   18  C   UNL     1       2.971   2.852   2.884  1.00  0.00           C  
HETATM   19  C   UNL     1       1.824   2.613   2.151  1.00  0.00           C  
HETATM   20  C   UNL     1       3.888  -0.181  -1.563  1.00  0.00           C  
HETATM   21  C   UNL     1       6.270  -0.931  -1.637  1.00  0.00           C  
HETATM   22  C   UNL     1       7.709  -2.517  -0.316  1.00  0.00           C  
HETATM   23  C   UNL     1       9.526  -0.572   0.245  1.00  0.00           C  
HETATM   24  C   UNL     1       8.420  -0.252  -0.520  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.758   1.297   0.688  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.142   1.294   0.093  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.911   0.146   0.136  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.180   0.143  -0.411  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.682   1.288  -1.000  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.913   2.437  -1.043  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.646   2.441  -0.492  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.990  -0.503  -0.778  1.00  0.00           N  
HETATM   33  N   UNL     1       2.792   0.238  -0.686  1.00  0.00           N  
HETATM   34  N   UNL     1       9.700  -1.797   0.700  1.00  0.00           N  
HETATM   35  O   UNL     1      -4.147  -2.766  -0.229  1.00  0.00           O  
HETATM   36  O   UNL     1      -3.650  -1.229   1.293  1.00  0.00           O  
HETATM   37  O   UNL     1       1.425   0.514  -2.411  1.00  0.00           O  
HETATM   38  S   UNL     1      -1.119   0.662  -1.120  1.00  0.00           S  
HETATM   39  H   UNL     1      -2.174   2.019   0.566  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.198   0.293   1.001  1.00  0.00           H  
HETATM   41  H   UNL     1       0.638   3.042  -0.964  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.281   2.828   0.545  1.00  0.00           H  
HETATM   43  H   UNL     1       3.016   3.245  -0.940  1.00  0.00           H  
HETATM   44  H   UNL     1       5.031   3.420   2.815  1.00  0.00           H  
HETATM   45  H   UNL     1       5.423   0.398  -0.168  1.00  0.00           H  
HETATM   46  H   UNL     1       4.895  -1.295  -0.019  1.00  0.00           H  
HETATM   47  H   UNL     1       9.018  -3.754   0.828  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.006  -4.234   2.686  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.871  -2.494   2.335  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.079  -3.484   1.481  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.575  -4.524   2.186  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.917  -3.979   0.625  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.440  -2.784   1.835  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.344  -5.161  -0.218  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.613  -5.368  -0.575  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.271  -5.912   0.987  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.844   1.536  -1.248  1.00  0.00           H  
HETATM   58  H   UNL     1       0.521   0.443   0.629  1.00  0.00           H  
HETATM   59  H   UNL     1       5.059   3.674   0.366  1.00  0.00           H  
HETATM   60  H   UNL     1       2.959   2.740   3.958  1.00  0.00           H  
HETATM   61  H   UNL     1       0.914   2.316   2.653  1.00  0.00           H  
HETATM   62  H   UNL     1       4.119   0.621  -2.264  1.00  0.00           H  
HETATM   63  H   UNL     1       5.972  -1.822  -2.189  1.00  0.00           H  
HETATM   64  H   UNL     1       6.501  -0.129  -2.338  1.00  0.00           H  
HETATM   65  H   UNL     1       7.007  -3.311  -0.523  1.00  0.00           H  
HETATM   66  H   UNL     1      10.256   0.191   0.473  1.00  0.00           H  
HETATM   67  H   UNL     1       8.283   0.753  -0.890  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.718   0.593   1.519  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.520   2.298   1.049  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.519  -0.749   0.596  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.781  -0.754  -0.377  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.672   1.284  -1.432  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.305   3.331  -1.504  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.046   3.338  -0.525  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.205  -0.712  -1.701  1.00  0.00           H  
HETATM   76  H   UNL     1       3.590  -1.072  -2.116  1.00  0.00           H  
HETATM   77  H   UNL     1       2.928   0.280   0.274  1.00  0.00           H  
CONECT    1   14   38   39   40                                       
CONECT    2   15   16   41   42                                       
CONECT    3   17   17   16   43                                       
CONECT    4   17   18   18   44                                       
CONECT    5   33   15   37   37                                       
CONECT    6   21   20   45   46                                       
CONECT    7   24   21   22   22                                       
CONECT    8   34   34   22   47                                       
CONECT    9   10   48   49   50                                       
CONECT   10   11    9   12   35                                       
CONECT   11   10   51   52   53                                       
CONECT   12   10   54   55   56                                       
CONECT   13   36   36   35   32                                       
CONECT   14   32   25    1   57                                       
CONECT   15    5   38    2   58                                       
CONECT   16    3    2   19   19                                       
CONECT   17    3    3    4   59                                       
CONECT   18    4    4   19   60                                       
CONECT   19   16   16   18   61                                       
CONECT   20    6   33   62   76                                       
CONECT   21    7    6   63   64                                       
CONECT   22    7    7    8   65                                       
CONECT   23   24   24   34   66                                       
CONECT   24   23   23    7   67                                       
CONECT   25   26   14   68   69                                       
CONECT   26   31   31   27   25                                       
CONECT   27   28   28   26   70                                       
CONECT   28   29   27   27   71                                       
CONECT   29   30   30   28   72                                       
CONECT   30   29   29   31   73                                       
CONECT   31   30   26   26   74                                       
CONECT   32   13   14   75                                            
CONECT   33   20    5   77                                            
CONECT   34   23    8    8                                            
CONECT   35   10   13                                                 
CONECT   36   13   13                                                 
CONECT   37    5    5                                                 
CONECT   38    1   15                                                 
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   20                                                      
CONECT   77   33                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
