COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.393   3.359  -1.225  1.00  0.00           N  
HETATM    2  C   UNL     1       3.950   2.189   0.486  1.00  0.00           C  
HETATM    3  C   UNL     1       5.690   3.747  -0.456  1.00  0.00           C  
HETATM    4  C   UNL     1       6.732   2.743  -0.035  1.00  0.00           C  
HETATM    5  C   UNL     1       5.719   4.943   0.498  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.241  -0.174   1.078  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.422  -1.364   1.340  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.627  -2.321   1.705  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.744  -2.127  -0.511  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.049  -2.048   1.512  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.145  -1.296  -0.758  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.860  -2.614   0.106  1.00  0.00           C  
HETATM   13  C   UNL     1       2.667   1.893   0.152  1.00  0.00           C  
HETATM   14  C   UNL     1       7.054   5.677   0.355  1.00  0.00           C  
HETATM   15  C   UNL     1       4.573   5.897   0.155  1.00  0.00           C  
HETATM   16  C   UNL     1       0.528   0.857   0.249  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.653  -0.334   0.511  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.855  -2.885   2.507  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.799  -1.536  -1.469  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.498  -3.100   0.041  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.585  -4.103  -0.241  1.00  0.00           C  
HETATM   22  C   UNL     1     -10.014  -1.829   0.354  1.00  0.00           C  
HETATM   23  C   UNL     1     -10.953  -0.720   0.665  1.00  0.00           C  
HETATM   24  C   UNL     1     -12.715   0.409   0.999  1.00  0.00           C  
HETATM   25  C   UNL     1     -14.831   0.026   2.238  1.00  0.00           C  
HETATM   26  C   UNL     1     -13.903  -1.623  -0.687  1.00  0.00           C  
HETATM   27  C   UNL     1     -15.504  -0.454  -2.150  1.00  0.00           C  
HETATM   28  C   UNL     1     -14.746  -0.513  -1.014  1.00  0.00           C  
HETATM   29  C   UNL     1     -14.148   0.853   1.148  1.00  0.00           C  
HETATM   30  C   UNL     1     -14.192   2.336   1.525  1.00  0.00           C  
HETATM   31  C   UNL     1     -15.638   2.833   1.441  1.00  0.00           C  
HETATM   32  C   UNL     1     -16.061   2.890  -0.029  1.00  0.00           C  
HETATM   33  C   UNL     1     -15.723   1.565  -0.685  1.00  0.00           C  
HETATM   34  C   UNL     1     -14.880   0.662  -0.171  1.00  0.00           C  
HETATM   35  C   UNL     1       8.210   0.814  -0.655  1.00  0.00           C  
HETATM   36  C   UNL     1       9.475   1.377  -0.061  1.00  0.00           C  
HETATM   37  C   UNL     1       8.522   0.111  -1.993  1.00  0.00           C  
HETATM   38  C   UNL     1       7.301   0.484  -2.875  1.00  0.00           C  
HETATM   39  C   UNL     1       6.999   1.926  -2.394  1.00  0.00           C  
HETATM   40  C   UNL     1      11.535   1.270   2.370  1.00  0.00           C  
HETATM   41  CA  UNL     1      11.714   1.099   0.860  1.00  0.00           C  
HETATM   42  C   UNL     1      15.151  -0.204   0.005  1.00  0.00           C  
HETATM   43  C   UNL     1      14.100   0.656   0.251  1.00  0.00           C  
HETATM   44  C   UNL     1      12.857   0.154   0.594  1.00  0.00           C  
HETATM   45  C   UNL     1      12.660  -1.212   0.692  1.00  0.00           C  
HETATM   46  C   UNL     1      13.702  -2.082   0.450  1.00  0.00           C  
HETATM   47  C   UNL     1      14.957  -1.582   0.098  1.00  0.00           C  
HETATM   48  C   UNL     1      17.827  -4.242  -0.237  1.00  0.00           C  
HETATM   49  C   UNL     1      16.079  -2.509  -0.163  1.00  0.00           C  
HETATM   50  C   UNL     1      16.908  -2.474  -1.228  1.00  0.00           C  
HETATM   51  C   UNL     1      16.790  -1.446  -2.324  1.00  0.00           C  
HETATM   52  N   UNL     1      -3.778  -1.518   0.795  1.00  0.00           N  
HETATM   53  N   UNL     1       2.370   2.645  -0.915  1.00  0.00           N  
HETATM   54  N   UNL     1      -6.498  -2.369   0.138  1.00  0.00           N  
HETATM   55  N   UNL     1      -8.699  -1.627   0.377  1.00  0.00           N  
HETATM   56  N   UNL     1      -8.291  -3.829  -0.200  1.00  0.00           N  
HETATM   57  N   UNL     1     -10.628   0.508   0.971  1.00  0.00           N  
HETATM   58  N   UNL     1     -12.303  -0.792   0.677  1.00  0.00           N  
HETATM   59  N   UNL     1     -13.234  -2.504  -0.428  1.00  0.00           N  
HETATM   60  N   UNL     1       4.365   3.122  -0.415  1.00  0.00           N  
HETATM   61  N   UNL     1     -15.554  -1.445  -3.115  1.00  0.00           N  
HETATM   62  N   UNL     1      10.483   0.552   0.282  1.00  0.00           N  
HETATM   63  N   UNL     1      17.829  -3.412  -1.227  1.00  0.00           N  
HETATM   64  N   UNL     1       7.266   1.904  -0.945  1.00  0.00           N  
HETATM   65  O   UNL     1       1.846   1.007   0.779  1.00  0.00           O  
HETATM   66  O   UNL     1     -11.627   1.167   1.167  1.00  0.00           O  
HETATM   67  O   UNL     1       9.586   2.573   0.108  1.00  0.00           O  
HETATM   68  O   UNL     1       6.196  -0.384  -2.615  1.00  0.00           O  
HETATM   69  O   UNL     1      11.369  -0.012   2.979  1.00  0.00           O  
HETATM   70  O   UNL     1       7.091   2.691   1.122  1.00  0.00           O  
HETATM   71  S   UNL     1     -16.384   1.003  -2.212  1.00  0.00           S  
HETATM   72  S   UNL     1      16.563  -3.866   0.851  1.00  0.00           S  
HETATM   73  H   UNL     1       4.523   1.770   1.299  1.00  0.00           H  
HETATM   74  H   UNL     1       5.901   4.086  -1.470  1.00  0.00           H  
HETATM   75  H   UNL     1       5.605   4.592   1.524  1.00  0.00           H  
HETATM   76  H   UNL     1       0.277  -1.132   1.039  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.301   0.164   2.113  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.904  -2.322   1.300  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.482  -1.026   2.375  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.359  -2.090   2.736  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.442  -3.379   1.519  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.924  -3.197  -0.404  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.754  -1.979  -0.942  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.236  -0.992   1.706  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.082  -0.368  -0.189  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.928  -1.196  -1.510  1.00  0.00           H  
HETATM   87  H   UNL     1       7.209   5.947  -0.690  1.00  0.00           H  
HETATM   88  H   UNL     1       7.039   6.580   0.965  1.00  0.00           H  
HETATM   89  H   UNL     1       7.863   5.027   0.686  1.00  0.00           H  
HETATM   90  H   UNL     1       3.622   5.374   0.257  1.00  0.00           H  
HETATM   91  H   UNL     1       4.594   6.749   0.834  1.00  0.00           H  
HETATM   92  H   UNL     1       4.687   6.247  -0.871  1.00  0.00           H  
HETATM   93  H   UNL     1       0.588   0.519  -0.785  1.00  0.00           H  
HETATM   94  H   UNL     1       0.009   1.815   0.289  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.171   0.624   0.551  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.593  -0.671  -0.524  1.00  0.00           H  
HETATM   97  H   UNL     1      -6.597  -2.590   3.524  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.920  -2.722   2.341  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.623  -3.941   2.365  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.431  -0.589  -1.862  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.953  -2.227  -2.298  1.00  0.00           H  
HETATM  102  H   UNL     1     -11.560  -3.296   0.014  1.00  0.00           H  
HETATM  103  H   UNL     1      -9.925  -5.098  -0.487  1.00  0.00           H  
HETATM  104  H   UNL     1     -14.308   0.168   3.184  1.00  0.00           H  
HETATM  105  H   UNL     1     -15.867   0.349   2.344  1.00  0.00           H  
HETATM  106  H   UNL     1     -14.806  -1.029   1.963  1.00  0.00           H  
HETATM  107  H   UNL     1     -13.821   2.463   2.542  1.00  0.00           H  
HETATM  108  H   UNL     1     -13.568   2.906   0.836  1.00  0.00           H  
HETATM  109  H   UNL     1     -16.291   2.150   1.983  1.00  0.00           H  
HETATM  110  H   UNL     1     -15.707   3.829   1.880  1.00  0.00           H  
HETATM  111  H   UNL     1     -17.135   3.066  -0.094  1.00  0.00           H  
HETATM  112  H   UNL     1     -15.526   3.694  -0.533  1.00  0.00           H  
HETATM  113  H   UNL     1       7.757   0.106   0.039  1.00  0.00           H  
HETATM  114  H   UNL     1       9.443   0.499  -2.427  1.00  0.00           H  
HETATM  115  H   UNL     1       8.583  -0.968  -1.856  1.00  0.00           H  
HETATM  116  H   UNL     1       7.564   0.472  -3.933  1.00  0.00           H  
HETATM  117  H   UNL     1       7.659   2.637  -2.891  1.00  0.00           H  
HETATM  118  H   UNL     1       5.956   2.178  -2.584  1.00  0.00           H  
HETATM  119  H1  UNL     1      12.416   1.759   2.786  1.00  0.00           H  
HETATM  120  H2  UNL     1      10.654   1.882   2.564  1.00  0.00           H  
HETATM  121  HA  UNL     1      11.929   2.066   0.407  1.00  0.00           H  
HETATM  122  H   UNL     1      16.121   0.190  -0.262  1.00  0.00           H  
HETATM  123  H   UNL     1      14.248   1.723   0.177  1.00  0.00           H  
HETATM  124  H   UNL     1      11.687  -1.598   0.961  1.00  0.00           H  
HETATM  125  H   UNL     1      13.547  -3.148   0.528  1.00  0.00           H  
HETATM  126  H   UNL     1      18.522  -5.059  -0.117  1.00  0.00           H  
HETATM  127  H   UNL     1      17.452  -0.607  -2.109  1.00  0.00           H  
HETATM  128  H   UNL     1      17.071  -1.895  -3.276  1.00  0.00           H  
HETATM  129  H   UNL     1      15.761  -1.091  -2.379  1.00  0.00           H  
HETATM  130  H   UNL     1     -15.026  -2.252  -3.009  1.00  0.00           H  
HETATM  131  H   UNL     1     -16.117  -1.332  -3.897  1.00  0.00           H  
HETATM  132  H   UNL     1      10.395  -0.405   0.147  1.00  0.00           H  
HETATM  133  H   UNL     1       5.410  -0.190  -3.142  1.00  0.00           H  
HETATM  134  H   UNL     1      11.251   0.021   3.938  1.00  0.00           H  
CONECT    1   60   53   53                                            
CONECT    2   60   13   13   73                                       
CONECT    3    4    5   60   74                                       
CONECT    4   64   70   70    3                                       
CONECT    5   15   14    3   75                                       
CONECT    6   16   17   76   77                                       
CONECT    7   17   52   78   79                                       
CONECT    8   10   52   80   81                                       
CONECT    9   52   19   82   83                                       
CONECT   10   18    8   54   84                                       
CONECT   11   54   19   85   86                                       
CONECT   12   55   55   54   56                                       
CONECT   13    2    2   53   65                                       
CONECT   14    5   87   88   89                                       
CONECT   15    5   90   91   92                                       
CONECT   16   65    6   93   94                                       
CONECT   17    6    7   95   96                                       
CONECT   18   10   97   98   99                                       
CONECT   19    9   11  100  101                                       
CONECT   20   22   22   21  102                                       
CONECT   21   20   56   56  103                                       
CONECT   22   23   20   20   55                                       
CONECT   23   57   57   58   22                                       
CONECT   24   29   66   58   58                                       
CONECT   25   29  104  105  106                                       
CONECT   26   28   59   59   59                                       
CONECT   27   71   61   28   28                                       
CONECT   28   27   27   34   26                                       
CONECT   29   34   30   25   24                                       
CONECT   30   31   29  107  108                                       
CONECT   31   32   30  109  110                                       
CONECT   32   33   31  111  112                                       
CONECT   33   71   32   34   34                                       
CONECT   34   33   33   28   29                                       
CONECT   35   36   37   64  113                                       
CONECT   36   67   67   62   35                                       
CONECT   37   35   38  114  115                                       
CONECT   38   37   39   68  116                                       
CONECT   39   38   64  117  118                                       
CONECT   40   41   69  119  120                                       
CONECT   41   44   40   62  121                                       
CONECT   42   47   43   43  122                                       
CONECT   43   42   42   44  123                                       
CONECT   44   45   45   43   41                                       
CONECT   45   46   44   44  124                                       
CONECT   46   47   47   45  125                                       
CONECT   47   49   46   46   42                                       
CONECT   48   63   63   72  126                                       
CONECT   49   50   50   72   47                                       
CONECT   50   63   51   49   49                                       
CONECT   51   50  127  128  129                                       
CONECT   52    7    8    9                                            
CONECT   53    1    1   13                                            
CONECT   54   12   10   11                                            
CONECT   55   22   12   12                                            
CONECT   56   12   21   21                                            
CONECT   57   66   23   23                                            
CONECT   58   24   24   23                                            
CONECT   59   26   26   26                                            
CONECT   60    3    1    2                                            
CONECT   61   27  130  131                                            
CONECT   62   41   36  132                                            
CONECT   63   48   48   50                                            
CONECT   64   35   39    4                                            
CONECT   65   13   16                                                 
CONECT   66   24   57                                                 
CONECT   67   36   36                                                 
CONECT   68   38  133                                                 
CONECT   69   40  134                                                 
CONECT   70    4    4                                                 
CONECT   71   27   33                                                 
CONECT   72   48   49                                                 
CONECT   73    2                                                      
CONECT   74    3                                                      
CONECT   75    5                                                      
CONECT   76    6                                                      
CONECT   77    6                                                      
CONECT   78    7                                                      
CONECT   79    7                                                      
CONECT   80    8                                                      
CONECT   81    8                                                      
CONECT   82    9                                                      
CONECT   83    9                                                      
CONECT   84   10                                                      
CONECT   85   11                                                      
CONECT   86   11                                                      
CONECT   87   14                                                      
CONECT   88   14                                                      
CONECT   89   14                                                      
CONECT   90   15                                                      
CONECT   91   15                                                      
CONECT   92   15                                                      
CONECT   93   16                                                      
CONECT   94   16                                                      
CONECT   95   17                                                      
CONECT   96   17                                                      
CONECT   97   18                                                      
CONECT   98   18                                                      
CONECT   99   18                                                      
CONECT  100   19                                                      
CONECT  101   19                                                      
CONECT  102   20                                                      
CONECT  103   21                                                      
CONECT  104   25                                                      
CONECT  105   25                                                      
CONECT  106   25                                                      
CONECT  107   30                                                      
CONECT  108   30                                                      
CONECT  109   31                                                      
CONECT  110   31                                                      
CONECT  111   32                                                      
CONECT  112   32                                                      
CONECT  113   35                                                      
CONECT  114   37                                                      
CONECT  115   37                                                      
CONECT  116   38                                                      
CONECT  117   39                                                      
CONECT  118   39                                                      
CONECT  119   40                                                      
CONECT  120   40                                                      
CONECT  121   41                                                      
CONECT  122   42                                                      
CONECT  123   43                                                      
CONECT  124   45                                                      
CONECT  125   46                                                      
CONECT  126   48                                                      
CONECT  127   51                                                      
CONECT  128   51                                                      
CONECT  129   51                                                      
CONECT  130   61                                                      
CONECT  131   61                                                      
CONECT  132   62                                                      
CONECT  133   68                                                      
CONECT  134   69                                                      
MASTER        0    0    0    0    0    0    0    0  134    0  134    0
END
