COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1      -7.572  -4.896  -0.421  1.00  0.00           O  
HETATM    2  C   UNL     1      -7.125  -3.646  -0.617  1.00  0.00           C  
HETATM    3  O   UNL     1      -6.094  -3.460  -1.219  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.910  -2.474  -0.087  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.860  -2.477   1.442  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.447  -2.834   1.906  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.234  -1.090   1.968  1.00  0.00           C  
HETATM    8  N   UNL     1      -7.327  -1.228  -0.591  1.00  0.00           N  
HETATM    9  S   UNL     1      -8.071  -0.403  -1.819  1.00  0.00           S  
HETATM   10  O   UNL     1      -8.861  -1.355  -2.520  1.00  0.00           O  
HETATM   11  C   UNL     1      -9.199   0.730  -1.079  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.500   0.338  -0.820  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.386   1.220  -0.235  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.967   2.507   0.096  1.00  0.00           C  
HETATM   15  C   UNL     1     -11.914   3.460   0.726  1.00  0.00           C  
HETATM   16  C   UNL     1     -11.495   4.747   1.057  1.00  0.00           C  
HETATM   17  C   UNL     1     -12.381   5.629   1.643  1.00  0.00           C  
HETATM   18  C   UNL     1     -13.682   5.237   1.901  1.00  0.00           C  
HETATM   19  C   UNL     1     -14.103   3.961   1.575  1.00  0.00           C  
HETATM   20  C   UNL     1     -13.228   3.072   0.984  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.655   2.897  -0.166  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.778   2.007  -0.752  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.065   0.382  -2.444  1.00  0.00           O  
HETATM   24  C   UNL     1      -6.086  -0.711  -0.009  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.909  -1.574  -0.468  1.00  0.00           C  
HETATM   26  N   UNL     1      -3.654  -0.965  -0.022  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.477  -1.556  -0.314  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.459  -2.593  -0.947  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.210  -0.941   0.136  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.230   0.248   0.868  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.048   0.823   1.289  1.00  0.00           C  
HETATM   32  C   UNL     1       1.162   0.228   0.990  1.00  0.00           C  
HETATM   33  C   UNL     1       0.006  -1.549  -0.165  1.00  0.00           C  
HETATM   34  C   UNL     1       1.196  -0.961   0.258  1.00  0.00           C  
HETATM   35  C   UNL     1       2.492  -1.597  -0.062  1.00  0.00           C  
HETATM   36  O   UNL     1       2.520  -2.632  -0.699  1.00  0.00           O  
HETATM   37  N   UNL     1       3.642  -1.029   0.353  1.00  0.00           N  
HETATM   38  C   UNL     1       4.926  -1.659   0.036  1.00  0.00           C  
HETATM   39  C   UNL     1       6.064  -0.818   0.618  1.00  0.00           C  
HETATM   40  N   UNL     1       7.350  -1.401   0.228  1.00  0.00           N  
HETATM   41  C   UNL     1       8.052  -2.306   1.141  1.00  0.00           C  
HETATM   42  C   UNL     1       8.425  -1.563   2.397  1.00  0.00           C  
HETATM   43  O   UNL     1       9.398  -2.035   3.193  1.00  0.00           O  
HETATM   44  O   UNL     1       7.850  -0.541   2.688  1.00  0.00           O  
HETATM   45  C   UNL     1       7.137  -3.481   1.497  1.00  0.00           C  
HETATM   46  C   UNL     1       6.765  -4.242   0.222  1.00  0.00           C  
HETATM   47  C   UNL     1       7.866  -4.421   2.458  1.00  0.00           C  
HETATM   48  S   UNL     1       8.012  -1.035  -1.246  1.00  0.00           S  
HETATM   49  O   UNL     1       8.892  -2.104  -1.567  1.00  0.00           O  
HETATM   50  O   UNL     1       6.934  -0.638  -2.082  1.00  0.00           O  
HETATM   51  C   UNL     1       9.022   0.391  -1.025  1.00  0.00           C  
HETATM   52  C   UNL     1      10.356   0.246  -0.691  1.00  0.00           C  
HETATM   53  C   UNL     1      11.152   1.360  -0.517  1.00  0.00           C  
HETATM   54  C   UNL     1       8.479   1.653  -1.191  1.00  0.00           C  
HETATM   55  C   UNL     1       9.266   2.774  -1.020  1.00  0.00           C  
HETATM   56  C   UNL     1      10.609   2.633  -0.678  1.00  0.00           C  
HETATM   57  C   UNL     1      11.460   3.835  -0.493  1.00  0.00           C  
HETATM   58  C   UNL     1      10.917   5.108  -0.653  1.00  0.00           C  
HETATM   59  C   UNL     1      11.713   6.222  -0.479  1.00  0.00           C  
HETATM   60  C   UNL     1      13.047   6.076  -0.146  1.00  0.00           C  
HETATM   61  C   UNL     1      13.592   4.815   0.015  1.00  0.00           C  
HETATM   62  C   UNL     1      12.804   3.694  -0.151  1.00  0.00           C  
HETATM   63  H   UNL     1      -7.034  -5.616  -0.780  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.945  -2.550  -0.417  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.566  -3.214   1.827  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.766  -2.022   1.655  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.447  -2.987   2.986  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.122  -3.748   1.410  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.314  -0.954   1.899  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.923  -0.999   3.008  1.00  0.00           H  
HETATM   71  H   UNL     1      -7.734  -0.328   1.370  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.824  -0.659  -1.078  1.00  0.00           H  
HETATM   73  H   UNL     1     -12.401   0.914  -0.034  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.480   5.054   0.856  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.057   6.627   1.900  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.370   5.929   2.364  1.00  0.00           H  
HETATM   77  H   UNL     1     -15.120   3.660   1.779  1.00  0.00           H  
HETATM   78  H   UNL     1     -13.557   2.076   0.729  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.325   3.893   0.088  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.759   2.306  -0.952  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.932   0.317  -0.336  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.155  -0.740   1.078  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.002  -2.572  -0.039  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.913  -1.645  -1.556  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.669  -0.138   0.483  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.173   0.719   1.105  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.069   1.743   1.855  1.00  0.00           H  
HETATM   88  H   UNL     1       2.083   0.683   1.322  1.00  0.00           H  
HETATM   89  H   UNL     1       0.027  -2.471  -0.728  1.00  0.00           H  
HETATM   90  H   UNL     1       3.619  -0.203   0.861  1.00  0.00           H  
HETATM   91  H   UNL     1       4.956  -2.660   0.467  1.00  0.00           H  
HETATM   92  H   UNL     1       5.040  -1.726  -1.046  1.00  0.00           H  
HETATM   93  H   UNL     1       5.996   0.200   0.236  1.00  0.00           H  
HETATM   94  H   UNL     1       5.986  -0.804   1.705  1.00  0.00           H  
HETATM   95  H   UNL     1       8.954  -2.682   0.659  1.00  0.00           H  
HETATM   96  H   UNL     1       9.602  -1.524   3.987  1.00  0.00           H  
HETATM   97  H   UNL     1       6.232  -3.105   1.973  1.00  0.00           H  
HETATM   98  H   UNL     1       7.671  -4.617  -0.254  1.00  0.00           H  
HETATM   99  H   UNL     1       6.114  -5.078   0.476  1.00  0.00           H  
HETATM  100  H   UNL     1       6.246  -3.571  -0.463  1.00  0.00           H  
HETATM  101  H   UNL     1       8.771  -4.797   1.982  1.00  0.00           H  
HETATM  102  H   UNL     1       8.131  -3.879   3.366  1.00  0.00           H  
HETATM  103  H   UNL     1       7.214  -5.258   2.712  1.00  0.00           H  
HETATM  104  H   UNL     1      10.776  -0.741  -0.566  1.00  0.00           H  
HETATM  105  H   UNL     1      12.194   1.245  -0.256  1.00  0.00           H  
HETATM  106  H   UNL     1       7.438   1.760  -1.456  1.00  0.00           H  
HETATM  107  H   UNL     1       8.841   3.758  -1.150  1.00  0.00           H  
HETATM  108  H   UNL     1       9.875   5.222  -0.914  1.00  0.00           H  
HETATM  109  H   UNL     1      11.293   7.209  -0.603  1.00  0.00           H  
HETATM  110  H   UNL     1      13.666   6.951  -0.010  1.00  0.00           H  
HETATM  111  H   UNL     1      14.634   4.707   0.275  1.00  0.00           H  
HETATM  112  H   UNL     1      13.229   2.710  -0.021  1.00  0.00           H  
CONECT    1    2   63                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    8   64                                       
CONECT    5    4    7    6   65                                       
CONECT    6    5   66   67   68                                       
CONECT    7    5   69   70   71                                       
CONECT    8    4    9   24                                            
CONECT    9   11   10   10    8                                       
CONECT    9   23   23                                                 
CONECT   10    9    9                                                 
CONECT   11   12   12   22    9                                       
CONECT   12   13   11   11   72                                       
CONECT   13   14   14   12   73                                       
CONECT   14   15   13   13   21                                       
CONECT   15   20   20   16   14                                       
CONECT   16   17   17   15   74                                       
CONECT   17   18   16   16   75                                       
CONECT   18   19   19   17   76                                       
CONECT   19   18   18   20   77                                       
CONECT   20   19   15   15   78                                       
CONECT   21   14   22   22   79                                       
CONECT   22   21   21   11   80                                       
CONECT   23    9    9                                                 
CONECT   24    8   25   81   82                                       
CONECT   25   24   26   83   84                                       
CONECT   26   25   27   85                                            
CONECT   27   28   28   26   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   30   33                                       
CONECT   30   29   29   31   86                                       
CONECT   31   30   32   32   87                                       
CONECT   32   31   31   34   88                                       
CONECT   33   29   34   34   89                                       
CONECT   34   33   33   32   35                                       
CONECT   35   34   37   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   35   38   90                                            
CONECT   38   37   39   91   92                                       
CONECT   39   38   40   93   94                                       
CONECT   40   39   48   41                                            
CONECT   41   40   45   42   95                                       
CONECT   42   41   44   44   43                                       
CONECT   43   42   96                                                 
CONECT   44   42   42                                                 
CONECT   45   46   47   41   97                                       
CONECT   46   45   98   99  100                                       
CONECT   47   45  101  102  103                                       
CONECT   48   50   50   40   49                                       
CONECT   48   49   51                                                 
CONECT   49   48   48                                                 
CONECT   50   48   48                                                 
CONECT   51   48   54   54   52                                       
CONECT   52   51   53   53  104                                       
CONECT   53   52   52   56  105                                       
CONECT   54   51   51   55  106                                       
CONECT   55   54   56   56  107                                       
CONECT   56   55   55   53   57                                       
CONECT   57   56   58   58   62                                       
CONECT   58   57   57   59  108                                       
CONECT   59   58   60   60  109                                       
CONECT   60   59   59   61  110                                       
CONECT   61   62   62   60  111                                       
CONECT   62   57   61   61  112                                       
CONECT   63    1                                                      
CONECT   64    4                                                      
CONECT   65    5                                                      
CONECT   66    6                                                      
CONECT   67    6                                                      
CONECT   68    6                                                      
CONECT   69    7                                                      
CONECT   70    7                                                      
CONECT   71    7                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   24                                                      
CONECT   82   24                                                      
CONECT   83   25                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   39                                                      
CONECT   95   41                                                      
CONECT   96   43                                                      
CONECT   97   45                                                      
CONECT   98   46                                                      
CONECT   99   46                                                      
CONECT  100   46                                                      
CONECT  101   47                                                      
CONECT  102   47                                                      
CONECT  103   47                                                      
CONECT  104   52                                                      
CONECT  105   53                                                      
CONECT  106   54                                                      
CONECT  107   55                                                      
CONECT  108   58                                                      
CONECT  109   59                                                      
CONECT  110   60                                                      
CONECT  111   61                                                      
CONECT  112   62                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
