COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.775  -0.889   3.043  1.00  0.00           C  
HETATM    2  O   UNL     1      -1.579  -1.056   3.019  1.00  0.00           O  
HETATM    3  OXT UNL     1      -3.278   0.347   3.187  1.00  0.00           O  
HETATM    4  CA  UNL     1      -3.695  -2.058   2.904  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.898  -3.330   2.552  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.753  -1.798   1.967  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.277  -1.090   0.711  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.827  -1.725  -0.225  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.504  -3.099   1.596  1.00  0.00           C  
HETATM   10  N   UNL     1      -4.495   0.272   0.624  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.151   0.892  -0.685  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.689   0.689  -0.958  1.00  0.00           C  
HETATM   13  O   UNL     1      -2.028   0.123  -0.104  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.389   2.383  -0.700  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.884   2.662  -0.542  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.125   4.173  -0.557  1.00  0.00           C  
HETATM   17  N   UNL     1      -7.557   4.441  -0.406  1.00  0.00           N  
HETATM   18  C   UNL     1      -8.014   5.731  -0.391  1.00  0.00           C  
HETATM   19  N   UNL     1      -7.157   6.742  -0.514  1.00  0.00           N  
HETATM   20  N   UNL     1      -9.316   5.974  -0.253  1.00  0.00           N1+
HETATM   21  C   UNL     1       5.468   3.720  -1.178  1.00  0.00           C  
HETATM   22  O   UNL     1       5.560   3.924   0.233  1.00  0.00           O  
HETATM   23  C   UNL     1       5.184   2.784   1.010  1.00  0.00           C  
HETATM   24  C   UNL     1       6.056   2.713   2.265  1.00  0.00           C  
HETATM   25  C   UNL     1       7.489   2.469   1.868  1.00  0.00           C  
HETATM   26  C   UNL     1       8.331   3.539   1.625  1.00  0.00           C  
HETATM   27  C   UNL     1       9.645   3.316   1.261  1.00  0.00           C  
HETATM   28  C   UNL     1      10.119   2.023   1.140  1.00  0.00           C  
HETATM   29  C   UNL     1       9.278   0.953   1.383  1.00  0.00           C  
HETATM   30  C   UNL     1       7.964   1.176   1.752  1.00  0.00           C  
HETATM   31  C   UNL     1       3.714   2.907   1.416  1.00  0.00           C  
HETATM   32  C   UNL     1       3.496   4.232   2.149  1.00  0.00           C  
HETATM   33  C   UNL     1       2.847   2.865   0.185  1.00  0.00           C  
HETATM   34  C   UNL     1       1.960   1.888   0.030  1.00  0.00           C  
HETATM   35  C   UNL     1       1.870   0.783   1.049  1.00  0.00           C  
HETATM   36  C   UNL     1       1.065   1.886  -1.138  1.00  0.00           C  
HETATM   37  C   UNL     1       0.177   0.910  -1.293  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.757   0.908  -2.512  1.00  0.00           C  
HETATM   39  N   UNL     1      -2.108   1.063  -2.183  1.00  0.00           N  
HETATM   40  C   UNL     1      -0.601  -0.432  -3.399  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.730  -1.359  -3.011  1.00  0.00           C  
HETATM   42  C   UNL     1       0.731  -1.025  -3.253  1.00  0.00           C  
HETATM   43  O   UNL     1       1.778  -0.330  -3.236  1.00  0.00           O  
HETATM   44  N   UNL     1       0.874  -2.387  -3.275  1.00  0.00           N  
HETATM   45  CA  UNL     1       2.143  -3.012  -2.700  1.00  0.00           C  
HETATM   46  C   UNL     1       3.247  -2.687  -3.516  1.00  0.00           C  
HETATM   47  O   UNL     1       3.185  -1.743  -4.268  1.00  0.00           O  
HETATM   48  C   UNL     1       2.261  -2.500  -1.289  1.00  0.00           C  
HETATM   49  C   UNL     1       2.024  -3.693  -0.347  1.00  0.00           C  
HETATM   50  C   UNL     1       0.492  -3.800   0.016  1.00  0.00           C  
HETATM   51  O   UNL     1      -0.189  -3.014  -0.568  1.00  0.00           O  
HETATM   52  OXT UNL     1       4.366  -3.425  -3.456  1.00  0.00           O  
HETATM   53  N   UNL     1       0.106  -4.704   0.937  1.00  0.00           N  
HETATM   54  C   UNL     1       0.979  -5.833   1.244  1.00  0.00           C  
HETATM   55  C   UNL     1      -1.121  -4.622   1.445  1.00  0.00           C  
HETATM   56  C   UNL     1      -1.847  -3.294   1.722  1.00  0.00           C  
HETATM   57  O   UNL     1      -1.562  -2.327   1.114  1.00  0.00           O  
HETATM   58  C   UNL     1      -1.763  -5.792   1.907  1.00  0.00           C  
HETATM   59  C   UNL     1      -1.127  -7.140   1.683  1.00  0.00           C  
HETATM   60  HXT UNL     1      -2.644   1.072   3.269  1.00  0.00           H  
HETATM   61  HA  UNL     1      -4.110  -2.208   3.942  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.171  -4.166   3.004  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.521  -1.119   2.489  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.936  -3.539   2.495  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.298  -2.870   0.885  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.806  -3.806   1.145  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.869   0.829   1.291  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.678   0.418  -1.554  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.843   2.845   0.123  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.039   2.797  -1.646  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.429   2.200  -1.365  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.234   2.248   0.404  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.580   4.636   0.266  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.776   4.588  -1.503  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.182   3.704  -0.317  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.208   6.565  -0.614  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.481   7.656  -0.503  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.640   6.888  -0.243  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.941   5.237  -0.164  1.00  0.00           H  
HETATM   80  H   UNL     1       6.062   2.850  -1.459  1.00  0.00           H  
HETATM   81  H   UNL     1       4.427   3.555  -1.454  1.00  0.00           H  
HETATM   82  H   UNL     1       5.846   4.601  -1.697  1.00  0.00           H  
HETATM   83  H   UNL     1       5.324   1.879   0.419  1.00  0.00           H  
HETATM   84  H   UNL     1       5.985   3.654   2.811  1.00  0.00           H  
HETATM   85  H   UNL     1       5.712   1.897   2.901  1.00  0.00           H  
HETATM   86  H   UNL     1       7.961   4.549   1.720  1.00  0.00           H  
HETATM   87  H   UNL     1      10.302   4.152   1.071  1.00  0.00           H  
HETATM   88  H   UNL     1      11.146   1.848   0.854  1.00  0.00           H  
HETATM   89  H   UNL     1       9.648  -0.057   1.288  1.00  0.00           H  
HETATM   90  H   UNL     1       7.308   0.341   1.946  1.00  0.00           H  
HETATM   91  H   UNL     1       3.450   2.080   2.075  1.00  0.00           H  
HETATM   92  H   UNL     1       4.123   4.262   3.040  1.00  0.00           H  
HETATM   93  H   UNL     1       3.761   5.059   1.490  1.00  0.00           H  
HETATM   94  H   UNL     1       2.449   4.319   2.438  1.00  0.00           H  
HETATM   95  H   UNL     1       2.947   3.629  -0.572  1.00  0.00           H  
HETATM   96  H   UNL     1       1.233   1.100   1.875  1.00  0.00           H  
HETATM   97  H   UNL     1       1.446  -0.107   0.584  1.00  0.00           H  
HETATM   98  H   UNL     1       2.867   0.555   1.427  1.00  0.00           H  
HETATM   99  H   UNL     1       1.129   2.679  -1.869  1.00  0.00           H  
HETATM  100  H   UNL     1       0.113   0.117  -0.562  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.437   1.701  -3.177  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.727   1.497  -2.804  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.741  -0.068  -4.380  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.684  -0.874  -3.214  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.659  -2.280  -3.591  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.659  -1.593  -1.949  1.00  0.00           H  
HETATM  107  H   UNL     1       0.256  -2.927  -3.689  1.00  0.00           H  
HETATM  108  HA  UNL     1       1.902  -4.071  -2.717  1.00  0.00           H  
HETATM  109  H   UNL     1       3.298  -2.196  -1.072  1.00  0.00           H  
HETATM  110  H   UNL     1       1.562  -1.720  -1.006  1.00  0.00           H  
HETATM  111  H   UNL     1       2.309  -4.608  -0.753  1.00  0.00           H  
HETATM  112  H   UNL     1       2.526  -3.532   0.583  1.00  0.00           H  
HETATM  113  HXT UNL     1       5.096  -3.163  -4.034  1.00  0.00           H  
HETATM  114  H   UNL     1       2.007  -5.577   0.988  1.00  0.00           H  
HETATM  115  H   UNL     1       0.916  -6.062   2.308  1.00  0.00           H  
HETATM  116  H   UNL     1       0.666  -6.702   0.666  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.711  -5.721   2.421  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.784  -7.920   2.068  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.968  -7.293   0.615  1.00  0.00           H  
HETATM  120  H   UNL     1      -0.170  -7.181   2.203  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   60                                                 
CONECT    4    1    5    6   61                                       
CONECT    5    4   62   56                                            
CONECT    6    4    7    9   63                                       
CONECT    7    6    8    8   10                                       
CONECT    8    7    7                                                 
CONECT    9    6   64   65   66                                       
CONECT   10   11   67    7                                            
CONECT   11   10   12   14   68                                       
CONECT   12   11   13   13   39                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   69   70                                       
CONECT   15   14   16   71   72                                       
CONECT   16   15   17   73   74                                       
CONECT   17   16   18   75                                            
CONECT   18   17   19   20   20                                       
CONECT   19   18   76   77                                            
CONECT   20   18   18   78   79                                       
CONECT   21   22   80   81   82                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   31   83                                       
CONECT   24   23   25   84   85                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   86                                       
CONECT   27   26   28   28   87                                       
CONECT   28   27   27   29   88                                       
CONECT   29   28   30   30   89                                       
CONECT   30   29   29   25   90                                       
CONECT   31   23   32   33   91                                       
CONECT   32   31   92   93   94                                       
CONECT   33   31   34   34   95                                       
CONECT   34   33   33   35   36                                       
CONECT   35   34   96   97   98                                       
CONECT   36   34   37   37   99                                       
CONECT   37   36   36   38  100                                       
CONECT   38   37   39   40  101                                       
CONECT   39   38  102   12                                            
CONECT   40   38   41   42  103                                       
CONECT   41   40  104  105  106                                       
CONECT   42   40   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   45  107   42                                            
CONECT   45   44   46   48  108                                       
CONECT   46   45   47   47   52                                       
CONECT   47   46   46                                                 
CONECT   48   45   49  109  110                                       
CONECT   49   48   50  111  112                                       
CONECT   50   49   51   51   53                                       
CONECT   51   50   50                                                 
CONECT   52   46  113                                                 
CONECT   53   54   55   50                                            
CONECT   54   53  114  115  116                                       
CONECT   55   53   56   58   58                                       
CONECT   56   55   57   57    5                                       
CONECT   57   56   56                                                 
CONECT   58   55   55   59  117                                       
CONECT   59   58  118  119  120                                       
CONECT   60    3                                                      
CONECT   61    4                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    9                                                      
CONECT   65    9                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   21                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   24                                                      
CONECT   86   26                                                      
CONECT   87   27                                                      
CONECT   88   28                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   32                                                      
CONECT   94   32                                                      
CONECT   95   33                                                      
CONECT   96   35                                                      
CONECT   97   35                                                      
CONECT   98   35                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   39                                                      
CONECT  103   40                                                      
CONECT  104   41                                                      
CONECT  105   41                                                      
CONECT  106   41                                                      
CONECT  107   44                                                      
CONECT  108   45                                                      
CONECT  109   48                                                      
CONECT  110   48                                                      
CONECT  111   49                                                      
CONECT  112   49                                                      
CONECT  113   52                                                      
CONECT  114   54                                                      
CONECT  115   54                                                      
CONECT  116   54                                                      
CONECT  117   58                                                      
CONECT  118   59                                                      
CONECT  119   59                                                      
CONECT  120   59                                                      
MASTER        0    0    0    0    0    0    0    0  120    0  120    0
END
