COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -21.532   9.337   0.255  1.00  0.00           C  
HETATM    2  C   UNL     1     -20.361   8.368   0.082  1.00  0.00           C  
HETATM    3  C   UNL     1     -20.828   6.943   0.385  1.00  0.00           C  
HETATM    4  N   UNL     1     -19.706   6.016   0.219  1.00  0.00           N  
HETATM    5  N   UNL     1     -21.084  10.705  -0.035  1.00  0.00           N1+
HETATM    6  C   UNL     1     -20.703  10.806  -1.450  1.00  0.00           C  
HETATM    7  C   UNL     1     -22.175  11.648   0.246  1.00  0.00           C  
HETATM    8  C   UNL     1     -18.252   0.073   0.616  1.00  0.00           C  
HETATM    9  N   UNL     1     -18.074   1.391   0.401  1.00  0.00           N  
HETATM   10  O   UNL     1     -19.364  -0.360   0.858  1.00  0.00           O  
HETATM   11  C   UNL     1     -15.050  -1.679   0.282  1.00  0.00           C  
HETATM   12  N   UNL     1     -17.124  -2.185   0.849  1.00  0.00           N  
HETATM   13  O   UNL     1     -13.549   0.348  -0.585  1.00  0.00           O  
HETATM   14  C   UNL     1     -15.817  -0.507   0.202  1.00  0.00           C  
HETATM   15  N   UNL     1     -13.675  -1.790   0.007  1.00  0.00           N  
HETATM   16  O   UNL     1      -9.600  -4.204  -0.310  1.00  0.00           O  
HETATM   17  C   UNL     1     -15.873  -2.685   0.679  1.00  0.00           C  
HETATM   18  N   UNL     1     -10.673   0.248  -0.848  1.00  0.00           N  
HETATM   19  O   UNL     1      -3.650  -3.232  -0.438  1.00  0.00           O  
HETATM   20  C   UNL     1     -18.299  -2.952   1.273  1.00  0.00           C  
HETATM   21  N   UNL     1      -8.315  -2.432  -0.694  1.00  0.00           N  
HETATM   22  O   UNL     1       2.956  -4.354  -0.192  1.00  0.00           O  
HETATM   23  C   UNL     1     -17.106  -0.841   0.558  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.332  -5.989  -0.164  1.00  0.00           N  
HETATM   25  O   UNL     1       8.849  -7.813   0.234  1.00  0.00           O  
HETATM   26  C   UNL     1     -12.975  -0.706  -0.380  1.00  0.00           C  
HETATM   27  O   UNL     1      10.208  -1.964  -0.344  1.00  0.00           O  
HETATM   28  C   UNL     1      -9.428  -1.571  -0.697  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.804  -5.433  -0.174  1.00  0.00           N  
HETATM   30  O   UNL     1      15.842   0.084   0.356  1.00  0.00           O  
HETATM   31  C   UNL     1      -9.405  -0.234  -0.935  1.00  0.00           C  
HETATM   32  N   UNL     1      -0.771  -3.285  -0.384  1.00  0.00           N  
HETATM   33  O   UNL     1      17.152   5.964   0.072  1.00  0.00           O  
HETATM   34  C   UNL     1     -11.072   1.644  -1.040  1.00  0.00           C  
HETATM   35  N   UNL     1      -0.886  -5.444  -0.124  1.00  0.00           N  
HETATM   36  C   UNL     1     -11.522  -0.795  -0.555  1.00  0.00           C  
HETATM   37  N   UNL     1       1.484  -6.005  -0.016  1.00  0.00           N  
HETATM   38  C   UNL     1     -10.759  -1.940  -0.455  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.480  -3.746  -0.441  1.00  0.00           C  
HETATM   40  N   UNL     1       7.656  -5.945   0.079  1.00  0.00           N  
HETATM   41  C   UNL     1      -5.208  -5.380  -0.203  1.00  0.00           C  
HETATM   42  N   UNL     1      11.344  -6.368   0.418  1.00  0.00           N  
HETATM   43  C   UNL     1      -6.053  -6.440  -0.089  1.00  0.00           C  
HETATM   44  N   UNL     1      12.174  -2.909   0.081  1.00  0.00           N  
HETATM   45  C   UNL     1      -8.536  -6.819  -0.083  1.00  0.00           C  
HETATM   46  N   UNL     1      11.310   0.704  -0.227  1.00  0.00           N  
HETATM   47  C   UNL     1      -7.310  -4.622  -0.323  1.00  0.00           C  
HETATM   48  N   UNL     1      14.649   1.939   0.080  1.00  0.00           N  
HETATM   49  C   UNL     1      -3.084  -4.300  -0.299  1.00  0.00           C  
HETATM   50  N   UNL     1      18.348   1.518   0.250  1.00  0.00           N  
HETATM   51  C   UNL     1      -1.613  -4.355  -0.268  1.00  0.00           C  
HETATM   52  C   UNL     1       0.407  -5.115  -0.142  1.00  0.00           C  
HETATM   53  N   UNL     1      19.151   4.997   0.142  1.00  0.00           N  
HETATM   54  C   UNL     1       0.501  -3.766  -0.304  1.00  0.00           C  
HETATM   55  C   UNL     1      -1.162  -1.885  -0.566  1.00  0.00           C  
HETATM   56  C   UNL     1       2.749  -5.541  -0.051  1.00  0.00           C  
HETATM   57  C   UNL     1     -19.196   2.319   0.566  1.00  0.00           C  
HETATM   58  C   UNL     1       8.831  -6.598   0.178  1.00  0.00           C  
HETATM   59  C   UNL     1      11.590  -4.185   0.176  1.00  0.00           C  
HETATM   60  C   UNL     1      10.223  -4.479   0.066  1.00  0.00           C  
HETATM   61  C   UNL     1      12.249  -5.355   0.391  1.00  0.00           C  
HETATM   62  C   UNL     1      11.654  -7.784   0.631  1.00  0.00           C  
HETATM   63  C   UNL     1      10.088  -5.843   0.219  1.00  0.00           C  
HETATM   64  C   UNL     1      11.400  -1.828  -0.135  1.00  0.00           C  
HETATM   65  C   UNL     1      13.334  -0.191   0.004  1.00  0.00           C  
HETATM   66  C   UNL     1      13.453   1.206  -0.025  1.00  0.00           C  
HETATM   67  C   UNL     1      12.205   1.725  -0.171  1.00  0.00           C  
HETATM   68  C   UNL     1       9.861   0.846  -0.381  1.00  0.00           C  
HETATM   69  C   UNL     1      11.992  -0.487  -0.120  1.00  0.00           C  
HETATM   70  C   UNL     1      15.824   1.294   0.222  1.00  0.00           C  
HETATM   71  C   UNL     1      18.576   3.714   0.177  1.00  0.00           C  
HETATM   72  C   UNL     1      19.249   2.534   0.230  1.00  0.00           C  
HETATM   73  C   UNL     1      18.674   0.090   0.307  1.00  0.00           C  
HETATM   74  C   UNL     1      17.080   2.050   0.215  1.00  0.00           C  
HETATM   75  C   UNL     1      18.362   6.088   0.090  1.00  0.00           C  
HETATM   76  C   UNL     1       3.906  -6.497   0.084  1.00  0.00           C  
HETATM   77  C   UNL     1       5.221  -5.719   0.012  1.00  0.00           C  
HETATM   78  C   UNL     1       6.396  -6.690   0.149  1.00  0.00           C  
HETATM   79  C   UNL     1      -5.990  -4.225  -0.352  1.00  0.00           C  
HETATM   80  C   UNL     1      17.204   3.423   0.172  1.00  0.00           C  
HETATM   81  C   UNL     1     -18.729   3.744   0.264  1.00  0.00           C  
HETATM   82  C   UNL     1     -19.883   4.698   0.434  1.00  0.00           C  
HETATM   83  O   UNL     1     -20.972   4.279   0.765  1.00  0.00           O  
HETATM   84  C   UNL     1      19.209   9.609  -0.018  1.00  0.00           C  
HETATM   85  N   UNL     1      18.282   8.615   0.000  1.00  0.00           N  
HETATM   86  C   UNL     1      16.827   8.780  -0.032  1.00  0.00           C  
HETATM   87  C   UNL     1      18.965   7.432   0.054  1.00  0.00           C  
HETATM   88  N   UNL     1      20.254   7.699   0.068  1.00  0.00           N  
HETATM   89  C   UNL     1      20.428   9.018   0.019  1.00  0.00           C  
HETATM   90  C   UNL     1      16.379   9.596   1.181  1.00  0.00           C  
HETATM   91  C   UNL     1      16.425   9.510  -1.315  1.00  0.00           C  
HETATM   92  H   UNL     1     -22.334   9.064  -0.431  1.00  0.00           H  
HETATM   93  H   UNL     1     -21.899   9.284   1.281  1.00  0.00           H  
HETATM   94  H   UNL     1     -19.994   8.421  -0.943  1.00  0.00           H  
HETATM   95  H   UNL     1     -19.559   8.642   0.769  1.00  0.00           H  
HETATM   96  H   UNL     1     -21.194   6.891   1.410  1.00  0.00           H  
HETATM   97  H   UNL     1     -21.629   6.670  -0.302  1.00  0.00           H  
HETATM   98  H   UNL     1     -18.835   6.351  -0.045  1.00  0.00           H  
HETATM   99  H   UNL     1     -20.370  11.821  -1.666  1.00  0.00           H  
HETATM  100  H   UNL     1     -19.893  10.106  -1.659  1.00  0.00           H  
HETATM  101  H   UNL     1     -21.562  10.564  -2.076  1.00  0.00           H  
HETATM  102  H   UNL     1     -22.458  11.574   1.296  1.00  0.00           H  
HETATM  103  H   UNL     1     -21.842  12.663   0.031  1.00  0.00           H  
HETATM  104  H   UNL     1     -23.034  11.407  -0.380  1.00  0.00           H  
HETATM  105  H   UNL     1     -17.203   1.727   0.136  1.00  0.00           H  
HETATM  106  H   UNL     1     -15.463   0.472  -0.085  1.00  0.00           H  
HETATM  107  H   UNL     1     -13.231  -2.648   0.096  1.00  0.00           H  
HETATM  108  H   UNL     1     -15.579  -3.713   0.833  1.00  0.00           H  
HETATM  109  H   UNL     1     -18.426  -2.856   2.351  1.00  0.00           H  
HETATM  110  H   UNL     1     -19.185  -2.567   0.767  1.00  0.00           H  
HETATM  111  H   UNL     1     -18.161  -4.002   1.014  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.430  -2.080  -0.874  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.352  -6.284  -0.063  1.00  0.00           H  
HETATM  114  H   UNL     1      -8.525   0.351  -1.158  1.00  0.00           H  
HETATM  115  H   UNL     1     -11.394   1.792  -2.070  1.00  0.00           H  
HETATM  116  H   UNL     1     -11.893   1.884  -0.364  1.00  0.00           H  
HETATM  117  H   UNL     1     -10.224   2.296  -0.827  1.00  0.00           H  
HETATM  118  H   UNL     1       1.318  -6.954   0.097  1.00  0.00           H  
HETATM  119  H   UNL     1     -11.119  -2.934  -0.233  1.00  0.00           H  
HETATM  120  H   UNL     1       7.644  -4.982  -0.038  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.755  -7.470   0.041  1.00  0.00           H  
HETATM  122  H   UNL     1      13.135  -2.808   0.171  1.00  0.00           H  
HETATM  123  H   UNL     1      -8.773  -7.213  -1.072  1.00  0.00           H  
HETATM  124  H   UNL     1      -8.361  -7.647   0.605  1.00  0.00           H  
HETATM  125  H   UNL     1      -9.370  -6.217   0.277  1.00  0.00           H  
HETATM  126  H   UNL     1      14.628   2.908   0.049  1.00  0.00           H  
HETATM  127  H   UNL     1      20.116   5.096   0.156  1.00  0.00           H  
HETATM  128  H   UNL     1       1.411  -3.187  -0.359  1.00  0.00           H  
HETATM  129  H   UNL     1      -1.280  -1.411   0.409  1.00  0.00           H  
HETATM  130  H   UNL     1      -0.392  -1.363  -1.133  1.00  0.00           H  
HETATM  131  H   UNL     1      -2.106  -1.840  -1.109  1.00  0.00           H  
HETATM  132  H   UNL     1     -19.998   2.046  -0.120  1.00  0.00           H  
HETATM  133  H   UNL     1     -19.562   2.266   1.592  1.00  0.00           H  
HETATM  134  H   UNL     1       9.427  -3.770  -0.106  1.00  0.00           H  
HETATM  135  H   UNL     1      13.316  -5.461   0.518  1.00  0.00           H  
HETATM  136  H   UNL     1      11.920  -8.244  -0.320  1.00  0.00           H  
HETATM  137  H   UNL     1      12.490  -7.872   1.324  1.00  0.00           H  
HETATM  138  H   UNL     1      10.782  -8.288   1.048  1.00  0.00           H  
HETATM  139  H   UNL     1      14.140  -0.901   0.110  1.00  0.00           H  
HETATM  140  H   UNL     1      11.964   2.776  -0.234  1.00  0.00           H  
HETATM  141  H   UNL     1       9.597   0.753  -1.435  1.00  0.00           H  
HETATM  142  H   UNL     1       9.356   0.067   0.190  1.00  0.00           H  
HETATM  143  H   UNL     1       9.550   1.824  -0.014  1.00  0.00           H  
HETATM  144  H   UNL     1      20.323   2.424   0.253  1.00  0.00           H  
HETATM  145  H   UNL     1      18.820  -0.208   1.345  1.00  0.00           H  
HETATM  146  H   UNL     1      17.856  -0.486  -0.125  1.00  0.00           H  
HETATM  147  H   UNL     1      19.588  -0.097  -0.257  1.00  0.00           H  
HETATM  148  H   UNL     1       3.841  -7.012   1.043  1.00  0.00           H  
HETATM  149  H   UNL     1       3.871  -7.227  -0.724  1.00  0.00           H  
HETATM  150  H   UNL     1       5.286  -5.204  -0.947  1.00  0.00           H  
HETATM  151  H   UNL     1       5.257  -4.989   0.820  1.00  0.00           H  
HETATM  152  H   UNL     1       6.361  -7.420  -0.659  1.00  0.00           H  
HETATM  153  H   UNL     1       6.331  -7.205   1.107  1.00  0.00           H  
HETATM  154  H   UNL     1      -5.626  -3.215  -0.467  1.00  0.00           H  
HETATM  155  H   UNL     1      16.396   4.139   0.137  1.00  0.00           H  
HETATM  156  H   UNL     1     -17.928   4.017   0.950  1.00  0.00           H  
HETATM  157  H   UNL     1     -18.363   3.796  -0.761  1.00  0.00           H  
HETATM  158  H   UNL     1      19.012  10.670  -0.058  1.00  0.00           H  
HETATM  159  H   UNL     1      16.350   7.800  -0.008  1.00  0.00           H  
HETATM  160  H   UNL     1      21.379   9.530   0.017  1.00  0.00           H  
HETATM  161  H   UNL     1      15.296   9.719   1.157  1.00  0.00           H  
HETATM  162  H   UNL     1      16.666   9.076   2.095  1.00  0.00           H  
HETATM  163  H   UNL     1      16.856  10.576   1.156  1.00  0.00           H  
HETATM  164  H   UNL     1      16.744   8.929  -2.180  1.00  0.00           H  
HETATM  165  H   UNL     1      15.342   9.633  -1.339  1.00  0.00           H  
HETATM  166  H   UNL     1      16.902  10.490  -1.340  1.00  0.00           H  
HETATM  167  H   UNL     1     -20.289  10.929   0.544  1.00  0.00           H  
CONECT    1    2    5   92   93                                       
CONECT    2    3    1   94   95                                       
CONECT    3    2    4   96   97                                       
CONECT    4    3   82   98                                            
CONECT    5    7    1    6  167                                       
CONECT    6    5   99  100  101                                       
CONECT    7    5  102  103  104                                       
CONECT    8    9   23   10   10                                       
CONECT    9   57    8  105                                            
CONECT   10    8    8                                                 
CONECT   11   15   14   17   17                                       
CONECT   12   23   17   20                                            
CONECT   13   26   26                                                 
CONECT   14   11   23   23  106                                       
CONECT   15   26   11  107                                            
CONECT   16   39   39                                                 
CONECT   17   11   11   12  108                                       
CONECT   18   31   36   34                                            
CONECT   19   49   49                                                 
CONECT   20   12  109  110  111                                       
CONECT   21   39   28  112                                            
CONECT   22   56   56                                                 
CONECT   23   14   14    8   12                                       
CONECT   24   43   45   47                                            
CONECT   25   58   58                                                 
CONECT   26   36   15   13   13                                       
CONECT   27   64   64                                                 
CONECT   28   21   38   31   31                                       
CONECT   29   49   41  113                                            
CONECT   30   70   70                                                 
CONECT   31   28   28   18  114                                       
CONECT   32   55   54   51                                            
CONECT   33   75   75                                                 
CONECT   34   18  115  116  117                                       
CONECT   35   52   51   51                                            
CONECT   36   38   38   18   26                                       
CONECT   37   56   52  118                                            
CONECT   38   28   36   36  119                                       
CONECT   39   47   21   16   16                                       
CONECT   40   78   58  120                                            
CONECT   41   29   43   43   79                                       
CONECT   42   62   63   61                                            
CONECT   43   41   41   24  121                                       
CONECT   44   59   64  122                                            
CONECT   45   24  123  124  125                                       
CONECT   46   69   68   67                                            
CONECT   47   79   79   24   39                                       
CONECT   48   66   70  126                                            
CONECT   49   51   19   19   29                                       
CONECT   50   74   72   73                                            
CONECT   51   32   35   35   49                                       
CONECT   52   54   54   37   35                                       
CONECT   53   71   75  127                                            
CONECT   54   32   52   52  128                                       
CONECT   55   32  129  130  131                                       
CONECT   56   22   22   76   37                                       
CONECT   57   81    9  132  133                                       
CONECT   58   25   25   40   63                                       
CONECT   59   61   61   60   44                                       
CONECT   60   63   63   59  134                                       
CONECT   61   42   59   59  135                                       
CONECT   62   42  136  137  138                                       
CONECT   63   58   42   60   60                                       
CONECT   64   44   27   27   69                                       
CONECT   65   69   69   66  139                                       
CONECT   66   65   67   67   48                                       
CONECT   67   46   66   66  140                                       
CONECT   68   46  141  142  143                                       
CONECT   69   64   65   65   46                                       
CONECT   70   48   30   30   74                                       
CONECT   71   80   53   72   72                                       
CONECT   72   71   71   50  144                                       
CONECT   73   50  145  146  147                                       
CONECT   74   70   80   80   50                                       
CONECT   75   53   87   33   33                                       
CONECT   76   56   77  148  149                                       
CONECT   77   76   78  150  151                                       
CONECT   78   77   40  152  153                                       
CONECT   79   41   47   47  154                                       
CONECT   80   74   74   71  155                                       
CONECT   81   82   57  156  157                                       
CONECT   82    4   81   83   83                                       
CONECT   83   82   82                                                 
CONECT   84   89   89   85  158                                       
CONECT   85   87   84   86                                            
CONECT   86   85   91   90  159                                       
CONECT   87   88   88   75   85                                       
CONECT   88   89   87   87                                            
CONECT   89   88   84   84  160                                       
CONECT   90   86  161  162  163                                       
CONECT   91   86  164  165  166                                       
CONECT   92    1                                                      
CONECT   93    1                                                      
CONECT   94    2                                                      
CONECT   95    2                                                      
CONECT   96    3                                                      
CONECT   97    3                                                      
CONECT   98    4                                                      
CONECT   99    6                                                      
CONECT  100    6                                                      
CONECT  101    6                                                      
CONECT  102    7                                                      
CONECT  103    7                                                      
CONECT  104    7                                                      
CONECT  105    9                                                      
CONECT  106   14                                                      
CONECT  107   15                                                      
CONECT  108   17                                                      
CONECT  109   20                                                      
CONECT  110   20                                                      
CONECT  111   20                                                      
CONECT  112   21                                                      
CONECT  113   29                                                      
CONECT  114   31                                                      
CONECT  115   34                                                      
CONECT  116   34                                                      
CONECT  117   34                                                      
CONECT  118   37                                                      
CONECT  119   38                                                      
CONECT  120   40                                                      
CONECT  121   43                                                      
CONECT  122   44                                                      
CONECT  123   45                                                      
CONECT  124   45                                                      
CONECT  125   45                                                      
CONECT  126   48                                                      
CONECT  127   53                                                      
CONECT  128   54                                                      
CONECT  129   55                                                      
CONECT  130   55                                                      
CONECT  131   55                                                      
CONECT  132   57                                                      
CONECT  133   57                                                      
CONECT  134   60                                                      
CONECT  135   61                                                      
CONECT  136   62                                                      
CONECT  137   62                                                      
CONECT  138   62                                                      
CONECT  139   65                                                      
CONECT  140   67                                                      
CONECT  141   68                                                      
CONECT  142   68                                                      
CONECT  143   68                                                      
CONECT  144   72                                                      
CONECT  145   73                                                      
CONECT  146   73                                                      
CONECT  147   73                                                      
CONECT  148   76                                                      
CONECT  149   76                                                      
CONECT  150   77                                                      
CONECT  151   77                                                      
CONECT  152   78                                                      
CONECT  153   78                                                      
CONECT  154   79                                                      
CONECT  155   80                                                      
CONECT  156   81                                                      
CONECT  157   81                                                      
CONECT  158   84                                                      
CONECT  159   86                                                      
CONECT  160   89                                                      
CONECT  161   90                                                      
CONECT  162   90                                                      
CONECT  163   90                                                      
CONECT  164   91                                                      
CONECT  165   91                                                      
CONECT  166   91                                                      
CONECT  167    5                                                      
MASTER        0    0    0    0    0    0    0    0  167    0  167    0
END
