COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.893  -0.737  -3.123  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.573  -1.282  -1.755  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.191  -0.417  -0.734  1.00  0.00           C  
HETATM    4  C   UNL     1       0.100  -0.916   0.531  1.00  0.00           C  
HETATM    5  C   UNL     1       0.012  -2.267   0.778  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.372  -3.139  -0.245  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.664  -2.635  -1.515  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.468  -4.589   0.015  1.00  0.00           C  
HETATM    9  C   UNL     1       1.015   1.615  -1.415  1.00  0.00           C  
HETATM   10  C   UNL     1       0.717   2.927  -1.531  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.629   3.095  -1.165  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.117   1.867  -0.832  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.493   1.569  -0.384  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.831   0.280   0.030  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.116   0.006   0.447  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.075   1.012   0.455  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.742   2.296   0.043  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.458   2.579  -0.370  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.427   1.614   0.941  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.492   0.927   1.395  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.849  -0.472   1.306  1.00  0.00           C  
HETATM   22  C   UNL     1       2.353   0.986  -1.708  1.00  0.00           C  
HETATM   23  C   UNL     1       3.253   1.105  -0.477  1.00  0.00           C  
HETATM   24  C   UNL     1       4.591   0.476  -0.770  1.00  0.00           C  
HETATM   25  C   UNL     1       6.839  -0.137  -0.091  1.00  0.00           C  
HETATM   26  C   UNL     1       7.773  -0.038   1.122  1.00  0.00           C  
HETATM   27  C   UNL     1       5.331   1.001   1.372  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.185  -5.074   1.241  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.100   0.955  -0.981  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.381   0.730   0.879  1.00  0.00           N  
HETATM   31  N   UNL     1      -8.112  -0.341   1.612  1.00  0.00           N  
HETATM   32  N   UNL     1       5.551   0.463   0.176  1.00  0.00           N  
HETATM   33  O   UNL     1      -0.802  -5.346  -0.875  1.00  0.00           O  
HETATM   34  O   UNL     1       4.804  -0.018  -1.856  1.00  0.00           O  
HETATM   35  O   UNL     1       4.295   1.533   1.721  1.00  0.00           O  
HETATM   36  S   UNL     1       6.774   0.824   2.377  1.00  0.00           S  
HETATM   37  H   UNL     1      -1.954  -0.490  -3.176  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.302   0.161  -3.304  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.656  -1.486  -3.877  1.00  0.00           H  
HETATM   40  H   UNL     1       0.397  -0.242   1.321  1.00  0.00           H  
HETATM   41  H   UNL     1       0.239  -2.654   1.760  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.965  -3.305  -2.306  1.00  0.00           H  
HETATM   43  H   UNL     1       1.393   3.707  -1.849  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.176   4.026  -1.149  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.087  -0.502   0.024  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.378  -0.991   0.769  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.490   3.076   0.049  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.199   3.579  -0.686  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.402   2.660   0.672  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.482   1.328   1.558  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.274  -1.383   1.380  1.00  0.00           H  
HETATM   52  H   UNL     1       2.214  -0.066  -1.957  1.00  0.00           H  
HETATM   53  H   UNL     1       2.819   1.500  -2.549  1.00  0.00           H  
HETATM   54  H   UNL     1       3.393   2.157  -0.228  1.00  0.00           H  
HETATM   55  H   UNL     1       2.787   0.591   0.364  1.00  0.00           H  
HETATM   56  H   UNL     1       7.300   0.373  -0.937  1.00  0.00           H  
HETATM   57  H   UNL     1       6.696  -1.188  -0.343  1.00  0.00           H  
HETATM   58  H   UNL     1       8.051  -1.033   1.472  1.00  0.00           H  
HETATM   59  H   UNL     1       8.661   0.543   0.875  1.00  0.00           H  
HETATM   60  H   UNL     1       0.081  -4.470   1.952  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.248  -6.026   1.412  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    3    3    7    1                                       
CONECT    3    4   29    2    2                                       
CONECT    4    5    5    3   40                                       
CONECT    5    4    4    6   41                                       
CONECT    6    5    8    7    7                                       
CONECT    7    6    6    2   42                                       
CONECT    8   28    6   33   33                                       
CONECT    9   10   10   22   29                                       
CONECT   10   11    9    9   43                                       
CONECT   11   10   12   12   44                                       
CONECT   12   11   11   13   29                                       
CONECT   13   14   12   18   18                                       
CONECT   14   15   15   13   45                                       
CONECT   15   14   14   16   46                                       
CONECT   16   15   30   17   17                                       
CONECT   17   16   16   18   47                                       
CONECT   18   13   13   17   48                                       
CONECT   19   30   20   20   49                                       
CONECT   20   31   19   19   50                                       
CONECT   21   31   31   30   51                                       
CONECT   22   23    9   52   53                                       
CONECT   23   24   22   54   55                                       
CONECT   24   32   34   34   23                                       
CONECT   25   26   32   56   57                                       
CONECT   26   25   36   58   59                                       
CONECT   27   36   32   35   35                                       
CONECT   28    8   60   61                                            
CONECT   29    9   12    3                                            
CONECT   30   21   16   19                                            
CONECT   31   21   21   20                                            
CONECT   32   25   27   24                                            
CONECT   33    8    8                                                 
CONECT   34   24   24                                                 
CONECT   35   27   27                                                 
CONECT   36   26   27                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
