COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -29.473  -0.714  -6.016  1.00  0.00           C  
HETATM    2  C   UNL     1     -29.876  -2.838  -8.006  1.00  0.00           C  
HETATM    3  C   UNL     1     -25.512  -1.318   0.532  1.00  0.00           C  
HETATM    4  C   UNL     1     -25.790  -0.028   1.278  1.00  0.00           C  
HETATM    5  C   UNL     1     -27.435   0.670  -0.543  1.00  0.00           C  
HETATM    6  C   UNL     1     -23.778  -2.074   2.425  1.00  0.00           C  
HETATM    7  C   UNL     1     -25.059   0.263   2.628  1.00  0.00           C  
HETATM    8  C   UNL     1     -26.937  -0.708  -4.971  1.00  0.00           C  
HETATM    9  C   UNL     1     -26.239  -1.737  -3.991  1.00  0.00           C  
HETATM   10  C   UNL     1     -27.261  -2.055  -3.247  1.00  0.00           C  
HETATM   11  C   UNL     1     -28.441  -2.399  -4.366  1.00  0.00           C  
HETATM   12  C   UNL     1     -26.537  -0.605  -6.312  1.00  0.00           C  
HETATM   13  C   UNL     1     -25.793   1.006  -8.205  1.00  0.00           C  
HETATM   14  C   UNL     1     -30.853  -1.409  -6.107  1.00  0.00           C  
HETATM   15  C   UNL     1     -32.721  -0.490  -4.610  1.00  0.00           C  
HETATM   16  C   UNL     1     -31.074  -1.950  -7.511  1.00  0.00           C  
HETATM   17  C   UNL     1     -27.141  -0.653  -1.295  1.00  0.00           C  
HETATM   18  C   UNL     1     -24.501  -2.357   1.098  1.00  0.00           C  
HETATM   19  C   UNL     1     -24.059  -0.764   3.190  1.00  0.00           C  
HETATM   20  C   UNL     1     -22.854  -4.254   2.266  1.00  0.00           C  
HETATM   21  C   UNL     1     -28.437   1.685  -1.119  1.00  0.00           C  
HETATM   22  C   UNL     1     -24.557   0.271  -8.786  1.00  0.00           C  
HETATM   23  C   UNL     1     -21.732  -2.704  -7.682  1.00  0.00           C  
HETATM   24  C   UNL     1     -20.274  -3.076  -7.950  1.00  0.00           C  
HETATM   25  C   UNL     1     -20.627  -2.168  -6.767  1.00  0.00           C  
HETATM   26  C   UNL     1     -22.621  -3.816  -7.086  1.00  0.00           C  
HETATM   27  C   UNL     1     -26.812   1.184  -9.347  1.00  0.00           C  
HETATM   28  C   UNL     1     -26.951   0.627 -10.785  1.00  0.00           C  
HETATM   29  C   UNL     1     -27.895  -0.267 -11.144  1.00  0.00           C  
HETATM   30  C   UNL     1     -28.932  -0.859 -10.155  1.00  0.00           C  
HETATM   31  C   UNL     1     -28.922  -2.407 -10.333  1.00  0.00           C  
HETATM   32  C   UNL     1     -25.934   2.363  -8.903  1.00  0.00           C  
HETATM   33  C   UNL     1     -30.081  -3.076  -9.537  1.00  0.00           C  
HETATM   34  C   UNL     1     -33.824   0.583  -4.460  1.00  0.00           C  
HETATM   35  C   UNL     1     -33.643   1.560  -3.282  1.00  0.00           C  
HETATM   36  C   UNL     1     -32.344   1.367  -2.464  1.00  0.00           C  
HETATM   37  C   UNL     1     -34.825   1.469  -2.316  1.00  0.00           C  
HETATM   38  C   UNL     1     -31.734   2.760  -2.143  1.00  0.00           C  
HETATM   39  C   UNL     1     -35.700  -0.556  -5.708  1.00  0.00           C  
HETATM   40  C   UNL     1     -37.035  -1.339  -5.730  1.00  0.00           C  
HETATM   41  N   UNL     1     -28.398  -1.293  -5.128  1.00  0.00           N  
HETATM   42  N   UNL     1     -26.127   0.735  -6.791  1.00  0.00           N  
HETATM   43  N   UNL     1     -31.907  -0.444  -5.857  1.00  0.00           N  
HETATM   44  N   UNL     1     -26.192  -1.612  -0.750  1.00  0.00           N  
HETATM   45  N   UNL     1     -26.758   0.954   0.724  1.00  0.00           N  
HETATM   46  N   UNL     1     -23.810  -0.743  -8.036  1.00  0.00           N  
HETATM   47  N   UNL     1     -35.086  -0.150  -4.430  1.00  0.00           N  
HETATM   48  O   UNL     1     -26.595  -1.533  -7.055  1.00  0.00           O  
HETATM   49  O   UNL     1     -29.249   0.275  -6.643  1.00  0.00           O  
HETATM   50  O   UNL     1     -32.528  -1.319  -3.774  1.00  0.00           O  
HETATM   51  O   UNL     1     -27.804  -0.926  -2.528  1.00  0.00           O  
HETATM   52  O   UNL     1     -22.863  -3.013   2.939  1.00  0.00           O  
HETATM   53  O   UNL     1     -24.185   0.528  -9.888  1.00  0.00           O  
HETATM   54  O   UNL     1     -21.469  -0.480  -9.257  1.00  0.00           O  
HETATM   55  O   UNL     1     -22.848  -2.091 -10.093  1.00  0.00           O  
HETATM   56  O   UNL     1     -35.167  -0.273  -6.732  1.00  0.00           O  
HETATM   57  S   UNL     1     -22.462  -1.472  -8.821  1.00  0.00           S  
HETATM   58  H   UNL     1     -29.873  -3.800  -7.472  1.00  0.00           H  
HETATM   59  H   UNL     1     -28.923  -2.318  -7.830  1.00  0.00           H  
HETATM   60  H   UNL     1     -25.254   1.180   3.164  1.00  0.00           H  
HETATM   61  H   UNL     1     -26.991   0.277  -4.484  1.00  0.00           H  
HETATM   62  H   UNL     1     -25.837  -2.608  -4.529  1.00  0.00           H  
HETATM   63  H   UNL     1     -25.436  -1.265  -3.405  1.00  0.00           H  
HETATM   64  H   UNL     1     -27.108  -2.930  -2.599  1.00  0.00           H  
HETATM   65  H   UNL     1     -29.425  -2.525  -3.891  1.00  0.00           H  
HETATM   66  H   UNL     1     -28.197  -3.300  -4.947  1.00  0.00           H  
HETATM   67  H   UNL     1     -30.897  -2.233  -5.379  1.00  0.00           H  
HETATM   68  H   UNL     1     -31.194  -1.102  -8.201  1.00  0.00           H  
HETATM   69  H   UNL     1     -31.990  -2.559  -7.515  1.00  0.00           H  
HETATM   70  H   UNL     1     -24.308  -3.274   0.561  1.00  0.00           H  
HETATM   71  H   UNL     1     -23.552  -0.567   4.123  1.00  0.00           H  
HETATM   72  H   UNL     1     -22.114  -4.920   2.734  1.00  0.00           H  
HETATM   73  H   UNL     1     -23.852  -4.713   2.330  1.00  0.00           H  
HETATM   74  H   UNL     1     -22.590  -4.096   1.210  1.00  0.00           H  
HETATM   75  H   UNL     1     -28.511   2.551  -0.445  1.00  0.00           H  
HETATM   76  H   UNL     1     -28.092   2.019  -2.109  1.00  0.00           H  
HETATM   77  H   UNL     1     -29.425   1.211  -1.216  1.00  0.00           H  
HETATM   78  H   UNL     1     -19.927  -4.104  -7.770  1.00  0.00           H  
HETATM   79  H   UNL     1     -19.753  -2.661  -8.825  1.00  0.00           H  
HETATM   80  H   UNL     1     -20.534  -2.544  -5.738  1.00  0.00           H  
HETATM   81  H   UNL     1     -20.360  -1.101  -6.793  1.00  0.00           H  
HETATM   82  H   UNL     1     -22.015  -4.458  -6.430  1.00  0.00           H  
HETATM   83  H   UNL     1     -23.436  -3.361  -6.504  1.00  0.00           H  
HETATM   84  H   UNL     1     -23.046  -4.421  -7.900  1.00  0.00           H  
HETATM   85  H   UNL     1     -27.816   1.303  -8.914  1.00  0.00           H  
HETATM   86  H   UNL     1     -26.258   0.971 -11.538  1.00  0.00           H  
HETATM   87  H   UNL     1     -27.930  -0.587 -12.175  1.00  0.00           H  
HETATM   88  H   UNL     1     -28.657  -0.598  -9.122  1.00  0.00           H  
HETATM   89  H   UNL     1     -29.933  -0.462 -10.379  1.00  0.00           H  
HETATM   90  H   UNL     1     -29.036  -2.646 -11.401  1.00  0.00           H  
HETATM   91  H   UNL     1     -27.962  -2.803  -9.969  1.00  0.00           H  
HETATM   92  H   UNL     1     -25.132   2.728  -9.561  1.00  0.00           H  
HETATM   93  H   UNL     1     -26.384   3.212  -8.368  1.00  0.00           H  
HETATM   94  H   UNL     1     -31.040  -2.637  -9.850  1.00  0.00           H  
HETATM   95  H   UNL     1     -30.088  -4.157  -9.741  1.00  0.00           H  
HETATM   96  H   UNL     1     -33.807   1.186  -5.380  1.00  0.00           H  
HETATM   97  H   UNL     1     -33.626   2.579  -3.695  1.00  0.00           H  
HETATM   98  H   UNL     1     -32.574   0.840  -1.526  1.00  0.00           H  
HETATM   99  H   UNL     1     -31.624   0.776  -3.049  1.00  0.00           H  
HETATM  100  H   UNL     1     -34.675   2.174  -1.485  1.00  0.00           H  
HETATM  101  H   UNL     1     -35.754   1.723  -2.848  1.00  0.00           H  
HETATM  102  H   UNL     1     -34.897   0.445  -1.920  1.00  0.00           H  
HETATM  103  H   UNL     1     -30.809   2.631  -1.561  1.00  0.00           H  
HETATM  104  H   UNL     1     -31.506   3.285  -3.082  1.00  0.00           H  
HETATM  105  H   UNL     1     -32.455   3.350  -1.559  1.00  0.00           H  
HETATM  106  H   UNL     1     -37.326  -1.539  -6.772  1.00  0.00           H  
HETATM  107  H   UNL     1     -36.910  -2.292  -5.195  1.00  0.00           H  
HETATM  108  H   UNL     1     -37.818  -0.742  -5.239  1.00  0.00           H  
HETATM  109  H   UNL     1     -26.074   1.485  -6.132  1.00  0.00           H  
HETATM  110  H   UNL     1     -32.091   0.267  -6.536  1.00  0.00           H  
HETATM  111  H   UNL     1     -24.073  -1.001  -7.106  1.00  0.00           H  
HETATM  112  H   UNL     1     -35.526  -0.373  -3.560  1.00  0.00           H  
CONECT    1   49   49   14   41                                       
CONECT    2   33   16   58   59                                       
CONECT    3   44   18   18    4                                       
CONECT    4    3   45    7    7                                       
CONECT    5   17   21   45   45                                       
CONECT    6   18   52   19   19                                       
CONECT    7    4    4   19   60                                       
CONECT    8   12   41    9   61                                       
CONECT    9    8   10   62   63                                       
CONECT   10   11    9   51   64                                       
CONECT   11   41   10   65   66                                       
CONECT   12   48   48   42    8                                       
CONECT   13   27   32   22   42                                       
CONECT   14   16    1   43   67                                       
CONECT   15   43   34   50   50                                       
CONECT   16    2   14   68   69                                       
CONECT   17   51   44   44    5                                       
CONECT   18    3    3    6   70                                       
CONECT   19    6    6    7   71                                       
CONECT   20   52   72   73   74                                       
CONECT   21    5   75   76   77                                       
CONECT   22   53   53   13   46                                       
CONECT   23   57   24   26   25                                       
CONECT   24   23   25   78   79                                       
CONECT   25   24   23   80   81                                       
CONECT   26   23   82   83   84                                       
CONECT   27   28   32   13   85                                       
CONECT   28   29   29   27   86                                       
CONECT   29   28   28   30   87                                       
CONECT   30   29   31   88   89                                       
CONECT   31   30   33   90   91                                       
CONECT   32   27   13   92   93                                       
CONECT   33   31    2   94   95                                       
CONECT   34   15   47   35   96                                       
CONECT   35   34   36   37   97                                       
CONECT   36   35   38   98   99                                       
CONECT   37   35  100  101  102                                       
CONECT   38   36  103  104  105                                       
CONECT   39   56   56   40   47                                       
CONECT   40   39  106  107  108                                       
CONECT   41    1    8   11                                            
CONECT   42   13   12  109                                            
CONECT   43   14   15  110                                            
CONECT   44   17   17    3                                            
CONECT   45    5    5    4                                            
CONECT   46   57   22  111                                            
CONECT   47   39   34  112                                            
CONECT   48   12   12                                                 
CONECT   49    1    1                                                 
CONECT   50   15   15                                                 
CONECT   51   10   17                                                 
CONECT   52   20    6                                                 
CONECT   53   22   22                                                 
CONECT   54   57   57                                                 
CONECT   55   57   57                                                 
CONECT   56   39   39                                                 
CONECT   57   55   55   54   54                                       
CONECT   57   46   23                                                 
CONECT   58    2                                                      
CONECT   59    2                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   11                                                      
CONECT   67   14                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   26                                                      
CONECT   84   26                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   30                                                      
CONECT   89   30                                                      
CONECT   90   31                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   32                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   35                                                      
CONECT   98   36                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   37                                                      
CONECT  102   37                                                      
CONECT  103   38                                                      
CONECT  104   38                                                      
CONECT  105   38                                                      
CONECT  106   40                                                      
CONECT  107   40                                                      
CONECT  108   40                                                      
CONECT  109   42                                                      
CONECT  110   43                                                      
CONECT  111   46                                                      
CONECT  112   47                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
