COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.975   1.316   1.436  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.724   0.993   1.005  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.445   1.064  -0.371  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.485   1.471  -1.246  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.742   1.777  -0.700  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.180   0.746  -0.898  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.974   0.836  -2.247  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.997   1.235  -3.103  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.233   1.550  -2.625  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.918   0.049  -0.685  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.930  -0.363   0.376  1.00  0.00           C  
HETATM   12  N   UNL     1     -11.932   1.684   0.596  1.00  0.00           N  
HETATM   13  O   UNL     1      -7.173   0.355  -0.075  1.00  0.00           O  
HETATM   14  O   UNL     1      -5.268  -0.393   1.540  1.00  0.00           O  
HETATM   15  N   UNL     1      -3.670  -0.694   0.031  1.00  0.00           N  
HETATM   16  C   UNL     1      -2.708  -1.089   1.063  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.863  -2.582   1.359  1.00  0.00           C  
HETATM   18  S   UNL     1      -4.548  -2.911   1.945  1.00  0.00           S  
HETATM   19  C   UNL     1      -4.536  -4.702   2.238  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.308  -0.816   0.577  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.132  -0.338  -0.524  1.00  0.00           O  
HETATM   22  C   UNL     1       3.470  -1.576   1.041  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.253  -1.102   1.364  1.00  0.00           N  
HETATM   24  O   UNL     1       4.357  -1.122   1.732  1.00  0.00           O  
HETATM   25  C   UNL     1       2.089  -1.762   1.614  1.00  0.00           C  
HETATM   26  C   UNL     1       0.585   1.532   0.374  1.00  0.00           C  
HETATM   27  C   UNL     1       1.473   0.621   1.182  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.044   3.204  -1.107  1.00  0.00           C  
HETATM   29  C   UNL     1       1.108  -0.836   0.891  1.00  0.00           C  
HETATM   30  O   UNL     1       2.104  -1.446   3.007  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.616   1.970   0.900  1.00  0.00           C  
HETATM   32  C   UNL     1       0.975   1.934  -0.890  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.430   2.806   0.159  1.00  0.00           C  
HETATM   34  C   UNL     1       0.160   2.770  -1.630  1.00  0.00           C  
HETATM   35  C   UNL     1       5.418  -0.299  -0.797  1.00  0.00           C  
HETATM   36  N   UNL     1       3.720  -1.913  -0.240  1.00  0.00           N  
HETATM   37  O   UNL     1       4.559   0.553  -0.717  1.00  0.00           O  
HETATM   38  C   UNL     1       5.033  -1.755  -0.847  1.00  0.00           C  
HETATM   39  C   UNL     1       5.085  -2.233  -2.316  1.00  0.00           C  
HETATM   40  C   UNL     1       2.681  -2.469  -1.129  1.00  0.00           C  
HETATM   41  C   UNL     1       4.863  -1.067  -3.281  1.00  0.00           C  
HETATM   42  C   UNL     1       6.405  -2.947  -2.615  1.00  0.00           C  
HETATM   43  S   UNL     1       3.669  -3.411  -2.364  1.00  0.00           S  
HETATM   44  N   UNL     1       6.717   0.056  -0.840  1.00  0.00           N  
HETATM   45  O   UNL     1       9.261   0.499  -1.375  1.00  0.00           O  
HETATM   46  C   UNL     1       7.092   1.471  -0.791  1.00  0.00           C  
HETATM   47  C   UNL     1       7.273   1.917   0.644  1.00  0.00           C  
HETATM   48  C   UNL     1       6.501   1.668   1.766  1.00  0.00           C  
HETATM   49  C   UNL     1       6.867   2.189   2.991  1.00  0.00           C  
HETATM   50  C   UNL     1       8.467   1.684  -1.458  1.00  0.00           C  
HETATM   51  C   UNL     1       8.415   2.690   0.752  1.00  0.00           C  
HETATM   52  C   UNL     1       8.780   3.210   1.982  1.00  0.00           C  
HETATM   53  C   UNL     1       8.008   2.961   3.100  1.00  0.00           C  
HETATM   54  C   UNL     1       9.078   2.815  -0.603  1.00  0.00           C  
HETATM   55  H   UNL     1     -11.196   1.263   2.492  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.961   0.687   1.706  1.00  0.00           H  
HETATM   57  H   UNL     1     -12.550   2.090  -1.344  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.003   0.593  -2.654  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.806   1.297  -4.164  1.00  0.00           H  
HETATM   60  H   UNL     1     -11.015   1.857  -3.303  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.544   0.930  -1.207  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.048  -0.766  -1.397  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.399  -0.670  -0.900  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.895  -0.517   1.972  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.676  -3.154   0.450  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.147  -2.876   2.127  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.307  -5.220   1.307  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.778  -4.943   2.984  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.514  -5.017   2.598  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.395  -1.485   2.245  1.00  0.00           H  
HETATM   71  H   UNL     1       1.777  -2.798   1.480  1.00  0.00           H  
HETATM   72  H   UNL     1       1.334   0.825   2.244  1.00  0.00           H  
HETATM   73  H   UNL     1       2.515   0.795   0.912  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.680   3.857  -1.686  1.00  0.00           H  
HETATM   75  H   UNL     1       1.161  -1.017  -0.182  1.00  0.00           H  
HETATM   76  H   UNL     1       2.373  -0.537   3.201  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.918   1.659   1.889  1.00  0.00           H  
HETATM   78  H   UNL     1       1.915   1.595  -1.298  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.369   3.148   0.569  1.00  0.00           H  
HETATM   80  H   UNL     1       0.462   3.081  -2.619  1.00  0.00           H  
HETATM   81  H   UNL     1       5.758  -2.326  -0.266  1.00  0.00           H  
HETATM   82  H   UNL     1       2.118  -1.671  -1.612  1.00  0.00           H  
HETATM   83  H   UNL     1       2.016  -3.134  -0.578  1.00  0.00           H  
HETATM   84  H   UNL     1       5.640  -0.318  -3.130  1.00  0.00           H  
HETATM   85  H   UNL     1       4.905  -1.432  -4.307  1.00  0.00           H  
HETATM   86  H   UNL     1       3.886  -0.621  -3.093  1.00  0.00           H  
HETATM   87  H   UNL     1       6.505  -3.814  -1.962  1.00  0.00           H  
HETATM   88  H   UNL     1       6.414  -3.272  -3.655  1.00  0.00           H  
HETATM   89  H   UNL     1       7.235  -2.263  -2.441  1.00  0.00           H  
HETATM   90  H   UNL     1       7.405  -0.626  -0.903  1.00  0.00           H  
HETATM   91  H   UNL     1      10.136   0.582  -1.779  1.00  0.00           H  
HETATM   92  H   UNL     1       6.334   2.079  -1.285  1.00  0.00           H  
HETATM   93  H   UNL     1       5.609   1.065   1.682  1.00  0.00           H  
HETATM   94  H   UNL     1       6.261   1.993   3.864  1.00  0.00           H  
HETATM   95  H   UNL     1       8.351   2.002  -2.494  1.00  0.00           H  
HETATM   96  H   UNL     1       9.672   3.814   2.067  1.00  0.00           H  
HETATM   97  H   UNL     1       8.296   3.369   4.057  1.00  0.00           H  
HETATM   98  H   UNL     1       8.855   3.786  -1.045  1.00  0.00           H  
HETATM   99  H   UNL     1      10.156   2.679  -0.510  1.00  0.00           H  
CONECT    1    2   12   12   55                                       
CONECT    2    3    3    1   56                                       
CONECT    3    4    6    2    2                                       
CONECT    4    3    9    5    5                                       
CONECT    5    4    4   12   57                                       
CONECT    6    3   13    7    7                                       
CONECT    7    6    6    8   58                                       
CONECT    8    7    9    9   59                                       
CONECT    9    4    8    8   60                                       
CONECT   10   11   13   61   62                                       
CONECT   11   14   14   15   10                                       
CONECT   12    5    1    1                                            
CONECT   13   10    6                                                 
CONECT   14   11   11                                                 
CONECT   15   11   16   63                                            
CONECT   16   17   20   15   64                                       
CONECT   17   16   18   65   66                                       
CONECT   18   17   19                                                 
CONECT   19   18   67   68   69                                       
CONECT   20   16   21   21   23                                       
CONECT   21   20   20                                                 
CONECT   22   25   36   24   24                                       
CONECT   23   20   29   70                                            
CONECT   24   22   22                                                 
CONECT   25   29   30   22   71                                       
CONECT   26   27   31   31   32                                       
CONECT   27   29   26   72   73                                       
CONECT   28   33   33   34   74                                       
CONECT   29   25   23   27   75                                       
CONECT   30   25   76                                                 
CONECT   31   26   26   33   77                                       
CONECT   32   26   34   34   78                                       
CONECT   33   31   28   28   79                                       
CONECT   34   28   32   32   80                                       
CONECT   35   38   37   37   44                                       
CONECT   36   22   40   38                                            
CONECT   37   35   35                                                 
CONECT   38   39   36   35   81                                       
CONECT   39   38   41   42   43                                       
CONECT   40   43   36   82   83                                       
CONECT   41   39   84   85   86                                       
CONECT   42   39   87   88   89                                       
CONECT   43   40   39                                                 
CONECT   44   46   35   90                                            
CONECT   45   50   91                                                 
CONECT   46   44   50   47   92                                       
CONECT   47   46   51   51   48                                       
CONECT   48   47   49   49   93                                       
CONECT   49   48   48   53   94                                       
CONECT   50   46   54   45   95                                       
CONECT   51   47   47   52   54                                       
CONECT   52   53   53   51   96                                       
CONECT   53   49   52   52   97                                       
CONECT   54   51   50   98   99                                       
CONECT   55    1                                                      
CONECT   56    2                                                      
CONECT   57    5                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   23                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   38                                                      
CONECT   82   40                                                      
CONECT   83   40                                                      
CONECT   84   41                                                      
CONECT   85   41                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   42                                                      
CONECT   89   42                                                      
CONECT   90   44                                                      
CONECT   91   45                                                      
CONECT   92   46                                                      
CONECT   93   48                                                      
CONECT   94   49                                                      
CONECT   95   50                                                      
CONECT   96   52                                                      
CONECT   97   53                                                      
CONECT   98   54                                                      
CONECT   99   54                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
