COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       3.939  -1.053  -1.226  1.00  0.00           C  
HETATM    2  N   UNL     1       3.249   1.252  -1.598  1.00  0.00           N  
HETATM    3  O   UNL     1       4.930  -0.828  -1.892  1.00  0.00           O  
HETATM    4  S   UNL     1      -1.430  -3.098  -1.190  1.00  0.00           S  
HETATM    5  C   UNL     1       3.008  -0.009  -1.038  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.504   4.306   0.017  1.00  0.00           N  
HETATM    7  O   UNL     1       5.185   1.435  -0.527  1.00  0.00           O  
HETATM    8  S   UNL     1      -2.425  -3.907   0.409  1.00  0.00           S  
HETATM    9  C   UNL     1       1.880  -0.226  -0.318  1.00  0.00           C  
HETATM   10  O   UNL     1       4.537   3.194  -1.716  1.00  0.00           O  
HETATM   11  S   UNL     1      -4.347  -3.247   0.139  1.00  0.00           S  
HETATM   12  C   UNL     1       1.613  -1.519   0.214  1.00  0.00           C  
HETATM   13  O   UNL     1       2.273  -3.779   0.692  1.00  0.00           O  
HETATM   14  C   UNL     1       2.763  -2.461   0.490  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.403   0.536  -0.247  1.00  0.00           O  
HETATM   16  C   UNL     1       3.765  -2.424  -0.651  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.159   4.690   1.268  1.00  0.00           O  
HETATM   18  C   UNL     1       4.354   1.942  -1.254  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.406   2.408   0.722  1.00  0.00           O  
HETATM   20  C   UNL     1       5.751   3.877  -1.304  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.533   0.413  -2.137  1.00  0.00           O  
HETATM   22  C   UNL     1       3.410  -1.974   1.737  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.906   1.842  -1.422  1.00  0.00           O  
HETATM   24  C   UNL     1       3.430  -1.251   2.699  1.00  0.00           C  
HETATM   25  C   UNL     1       2.960  -0.581   3.878  1.00  0.00           C  
HETATM   26  C   UNL     1       2.101   0.452   3.803  1.00  0.00           C  
HETATM   27  C   UNL     1       1.625   0.947   2.549  1.00  0.00           C  
HETATM   28  C   UNL     1       1.127   1.161   1.487  1.00  0.00           C  
HETATM   29  C   UNL     1       0.949   0.909   0.027  1.00  0.00           C  
HETATM   30  C   UNL     1       0.357  -1.897   0.467  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.741  -1.564  -0.509  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.133  -4.627  -0.737  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.276   1.644  -0.479  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.652   1.128  -0.906  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.599   2.318  -1.094  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.657   3.121   0.209  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.242   3.560   0.593  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.284   4.311   1.925  1.00  0.00           C  
HETATM   39  H   UNL     1       2.620   1.629  -2.233  1.00  0.00           H  
HETATM   40  H   UNL     1       2.964  -4.432   0.873  1.00  0.00           H  
HETATM   41  H   UNL     1       3.420  -3.094  -1.438  1.00  0.00           H  
HETATM   42  H   UNL     1       4.730  -2.777  -0.288  1.00  0.00           H  
HETATM   43  H   UNL     1       5.774   4.873  -1.745  1.00  0.00           H  
HETATM   44  H   UNL     1       5.770   3.960  -0.218  1.00  0.00           H  
HETATM   45  H   UNL     1       6.619   3.310  -1.641  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.007  -0.396  -2.073  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.941   1.318  -2.234  1.00  0.00           H  
HETATM   48  H   UNL     1       3.303  -0.920   4.848  1.00  0.00           H  
HETATM   49  H   UNL     1       1.762   0.924   4.720  1.00  0.00           H  
HETATM   50  H   UNL     1       1.215   1.799  -0.544  1.00  0.00           H  
HETATM   51  H   UNL     1       0.129  -2.442   1.372  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.336  -0.957  -1.319  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.527  -1.009   0.003  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.614  -4.802  -1.680  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.081  -5.525  -0.122  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.176  -4.383  -0.937  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.862   2.273  -1.267  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.048   0.465  -0.137  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.230   2.953  -1.900  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.075   2.500   1.001  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.842   4.214  -0.181  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.684   3.656   2.699  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.276   4.623   2.198  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.923   5.189   1.827  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.182   4.152  -0.714  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.728   5.468   1.191  1.00  0.00           H  
CONECT    1   16    3    3    5                                       
CONECT    2    5   39   18                                            
CONECT    3    1    1                                                 
CONECT    4    8   31                                                 
CONECT    5    2    1    9    9                                       
CONECT    6   17   36   65                                            
CONECT    7   18   18                                                 
CONECT    8    4   11                                                 
CONECT    9    5    5   12   29                                       
CONECT   10   18   20                                                 
CONECT   11    8   32                                                 
CONECT   12    9   14   30   30                                       
CONECT   13   40   14                                                 
CONECT   14   12   13   22   16                                       
CONECT   15   29   33                                                 
CONECT   16    1   14   41   42                                       
CONECT   17    6   66                                                 
CONECT   18    7    7   10    2                                       
CONECT   19   33   37                                                 
CONECT   20   10   43   44   45                                       
CONECT   21   34   46                                                 
CONECT   22   14   24   24   24                                       
CONECT   23   35   47                                                 
CONECT   24   22   22   22   25                                       
CONECT   25   24   48   26   26                                       
CONECT   26   25   25   49   27                                       
CONECT   27   26   28   28   28                                       
CONECT   28   27   27   27   29                                       
CONECT   29   15    9   28   50                                       
CONECT   30   12   12   51   31                                       
CONECT   31    4   30   52   53                                       
CONECT   32   11   54   55   56                                       
CONECT   33   15   19   57   34                                       
CONECT   34   21   33   58   35                                       
CONECT   35   23   34   36   59                                       
CONECT   36    6   35   37   60                                       
CONECT   37   36   19   38   61                                       
CONECT   38   37   62   63   64                                       
CONECT   39    2                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   29                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   35                                                      
CONECT   60   36                                                      
CONECT   61   37                                                      
CONECT   62   38                                                      
CONECT   63   38                                                      
CONECT   64   38                                                      
CONECT   65    6                                                      
CONECT   66   17                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
