COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.764  -1.779  -1.301  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.957  -0.911  -1.033  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.380   0.331  -0.733  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.813   0.562  -0.750  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.095   1.999  -0.392  1.00  0.00           C  
HETATM    6  S   UNL     1      -8.355   2.631   1.232  1.00  0.00           S  
HETATM    7  C   UNL     1      -8.560   4.204   0.596  1.00  0.00           C  
HETATM    8  N   UNL     1      -8.436   4.185  -0.688  1.00  0.00           N  
HETATM    9  C   UNL     1      -8.186   3.019  -1.250  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.640  -1.194  -1.030  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.180  -2.548  -1.350  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.060  -2.700  -2.868  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.815  -2.789  -0.703  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.959  -2.761   0.820  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.594  -3.002   1.466  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.758  -3.098   2.984  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.696  -1.891   1.141  1.00  0.00           N  
HETATM   18  C   UNL     1       0.638  -2.080   1.144  1.00  0.00           C  
HETATM   19  O   UNL     1       1.100  -3.142   1.504  1.00  0.00           O  
HETATM   20  C   UNL     1       1.557  -0.971   0.700  1.00  0.00           C  
HETATM   21  C   UNL     1       1.880  -0.068   1.893  1.00  0.00           C  
HETATM   22  C   UNL     1       0.603   0.633   2.362  1.00  0.00           C  
HETATM   23  C   UNL     1       2.446  -0.914   3.035  1.00  0.00           C  
HETATM   24  N   UNL     1       2.797  -1.546   0.173  1.00  0.00           N  
HETATM   25  C   UNL     1       3.536  -0.853  -0.716  1.00  0.00           C  
HETATM   26  O   UNL     1       3.174   0.248  -1.081  1.00  0.00           O  
HETATM   27  N   UNL     1       4.677  -1.382  -1.201  1.00  0.00           N  
HETATM   28  C   UNL     1       5.114  -2.709  -0.761  1.00  0.00           C  
HETATM   29  C   UNL     1       5.481  -0.629  -2.168  1.00  0.00           C  
HETATM   30  C   UNL     1       6.484   0.222  -1.433  1.00  0.00           C  
HETATM   31  N   UNL     1       6.195   1.418  -0.963  1.00  0.00           N  
HETATM   32  C   UNL     1       7.738  -0.178  -1.199  1.00  0.00           C  
HETATM   33  S   UNL     1       8.561   1.107  -0.320  1.00  0.00           S  
HETATM   34  C   UNL     1       7.137   2.053  -0.350  1.00  0.00           C  
HETATM   35  C   UNL     1       7.001   3.428   0.252  1.00  0.00           C  
HETATM   36  C   UNL     1       7.282   3.357   1.754  1.00  0.00           C  
HETATM   37  C   UNL     1       8.004   4.375  -0.410  1.00  0.00           C  
HETATM   38  H   UNL     1      -8.203   0.352  -1.746  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.296  -0.094  -0.025  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.765   5.087   1.183  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.060   2.899  -2.316  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.995  -0.501  -0.815  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.897  -3.275  -0.968  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.343  -1.973  -3.250  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.718  -3.707  -3.106  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.032  -2.528  -3.328  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.432  -3.762  -1.014  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.121  -2.009  -1.017  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.342  -1.788   1.130  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.653  -3.541   1.133  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.172  -3.933   1.087  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.180  -2.167   3.364  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.426  -3.925   3.226  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.785  -3.270   3.445  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.062  -1.020   0.924  1.00  0.00           H  
HETATM   56  H   UNL     1       1.069  -0.384  -0.078  1.00  0.00           H  
HETATM   57  H   UNL     1       2.615   0.679   1.594  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.155  -0.113   2.600  1.00  0.00           H  
HETATM   59  H   UNL     1       0.820   1.227   3.250  1.00  0.00           H  
HETATM   60  H   UNL     1       0.235   1.285   1.570  1.00  0.00           H  
HETATM   61  H   UNL     1       3.355  -1.413   2.701  1.00  0.00           H  
HETATM   62  H   UNL     1       2.675  -0.271   3.884  1.00  0.00           H  
HETATM   63  H   UNL     1       1.710  -1.661   3.333  1.00  0.00           H  
HETATM   64  H   UNL     1       3.087  -2.424   0.465  1.00  0.00           H  
HETATM   65  H   UNL     1       4.696  -3.467  -1.423  1.00  0.00           H  
HETATM   66  H   UNL     1       6.202  -2.762  -0.790  1.00  0.00           H  
HETATM   67  H   UNL     1       4.769  -2.886   0.258  1.00  0.00           H  
HETATM   68  H   UNL     1       6.005  -1.324  -2.823  1.00  0.00           H  
HETATM   69  H   UNL     1       4.828   0.010  -2.762  1.00  0.00           H  
HETATM   70  H   UNL     1       8.169  -1.122  -1.497  1.00  0.00           H  
HETATM   71  H   UNL     1       5.989   3.798   0.088  1.00  0.00           H  
HETATM   72  H   UNL     1       7.183   4.352   2.189  1.00  0.00           H  
HETATM   73  H   UNL     1       6.567   2.682   2.226  1.00  0.00           H  
HETATM   74  H   UNL     1       8.294   2.987   1.918  1.00  0.00           H  
HETATM   75  H   UNL     1       9.016   4.005  -0.247  1.00  0.00           H  
HETATM   76  H   UNL     1       7.804   4.425  -1.481  1.00  0.00           H  
HETATM   77  H   UNL     1       7.906   5.370   0.025  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   10    3                                       
CONECT    3    2    4                                                 
CONECT    4    5    3   38   39                                       
CONECT    5    6    9    9    4                                       
CONECT    6    7    5                                                 
CONECT    7    6    8    8   40                                       
CONECT    8    7    7    9                                            
CONECT    9    8    5    5   41                                       
CONECT   10    2   11   42                                            
CONECT   11   13   10   12   43                                       
CONECT   12   11   44   45   46                                       
CONECT   13   14   11   47   48                                       
CONECT   14   15   13   49   50                                       
CONECT   15   16   17   14   51                                       
CONECT   16   15   52   53   54                                       
CONECT   17   18   15   55                                            
CONECT   18   19   19   20   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   24   56                                       
CONECT   21   23   20   22   57                                       
CONECT   22   21   58   59   60                                       
CONECT   23   21   61   62   63                                       
CONECT   24   20   25   64                                            
CONECT   25   26   26   24   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   29   28                                            
CONECT   28   27   65   66   67                                       
CONECT   29   30   27   68   69                                       
CONECT   30   32   32   31   29                                       
CONECT   31   34   34   30                                            
CONECT   32   33   30   30   70                                       
CONECT   33   34   32                                                 
CONECT   34   35   33   31   31                                       
CONECT   35   36   34   37   71                                       
CONECT   36   35   72   73   74                                       
CONECT   37   35   75   76   77                                       
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   29                                                      
CONECT   69   29                                                      
CONECT   70   32                                                      
CONECT   71   35                                                      
CONECT   72   36                                                      
CONECT   73   36                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
