COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.447  -4.288   2.730  1.00  0.00           C  
HETATM    2  C   UNL     1       2.506  -5.048   1.975  1.00  0.00           C  
HETATM    3  N   UNL     1       3.721  -4.234   1.885  1.00  0.00           N  
HETATM    4  C   UNL     1       4.808  -4.714   1.248  1.00  0.00           C  
HETATM    5  O   UNL     1       4.780  -5.820   0.749  1.00  0.00           O  
HETATM    6  C   UNL     1       6.057  -3.877   1.155  1.00  0.00           C  
HETATM    7  C   UNL     1       5.901  -2.849   0.032  1.00  0.00           C  
HETATM    8  N   UNL     1       7.157  -2.116  -0.137  1.00  0.00           N  
HETATM    9  C   UNL     1       7.254  -1.153  -1.076  1.00  0.00           C  
HETATM   10  O   UNL     1       6.301  -0.895  -1.780  1.00  0.00           O  
HETATM   11  C   UNL     1       8.547  -0.399  -1.250  1.00  0.00           C  
HETATM   12  C   UNL     1       8.652   0.688  -0.179  1.00  0.00           C  
HETATM   13  N   UNL     1       9.849   1.498  -0.420  1.00  0.00           N  
HETATM   14  C   UNL     1      10.147   2.522   0.403  1.00  0.00           C  
HETATM   15  O   UNL     1       9.424   2.774   1.344  1.00  0.00           O  
HETATM   16  C   UNL     1      11.378   3.355   0.155  1.00  0.00           C  
HETATM   17  N   UNL     1      11.478   4.397   1.181  1.00  0.00           N  
HETATM   18  C   UNL     1      12.507   5.266   1.160  1.00  0.00           C  
HETATM   19  O   UNL     1      13.353   5.187   0.290  1.00  0.00           O  
HETATM   20  C   UNL     1      12.608   6.315   2.193  1.00  0.00           C  
HETATM   21  C   UNL     1      11.641   6.406   3.199  1.00  0.00           C  
HETATM   22  C   UNL     1      11.738   7.386   4.161  1.00  0.00           C  
HETATM   23  C   UNL     1      12.791   8.286   4.140  1.00  0.00           C  
HETATM   24  C   UNL     1      13.757   8.209   3.150  1.00  0.00           C  
HETATM   25  O   UNL     1      14.787   9.096   3.136  1.00  0.00           O  
HETATM   26  C   UNL     1      13.675   7.220   2.175  1.00  0.00           C  
HETATM   27  O   UNL     1      14.623   7.137   1.207  1.00  0.00           O  
HETATM   28  N   UNL     1       8.576   0.219  -2.578  1.00  0.00           N  
HETATM   29  C   UNL     1       7.629   1.112  -2.927  1.00  0.00           C  
HETATM   30  O   UNL     1       6.750   1.404  -2.139  1.00  0.00           O  
HETATM   31  C   UNL     1       7.658   1.735  -4.264  1.00  0.00           C  
HETATM   32  C   UNL     1       8.667   1.401  -5.172  1.00  0.00           C  
HETATM   33  C   UNL     1       8.691   1.984  -6.420  1.00  0.00           C  
HETATM   34  C   UNL     1       7.719   2.902  -6.783  1.00  0.00           C  
HETATM   35  C   UNL     1       6.713   3.242  -5.894  1.00  0.00           C  
HETATM   36  O   UNL     1       5.761   4.144  -6.257  1.00  0.00           O  
HETATM   37  C   UNL     1       6.672   2.658  -4.632  1.00  0.00           C  
HETATM   38  O   UNL     1       5.688   2.989  -3.759  1.00  0.00           O  
HETATM   39  N   UNL     1       7.205  -4.742   0.868  1.00  0.00           N  
HETATM   40  C   UNL     1       7.225  -5.483  -0.257  1.00  0.00           C  
HETATM   41  O   UNL     1       6.291  -5.434  -1.035  1.00  0.00           O  
HETATM   42  C   UNL     1       8.380  -6.355  -0.546  1.00  0.00           C  
HETATM   43  C   UNL     1       9.455  -6.414   0.345  1.00  0.00           C  
HETATM   44  C   UNL     1      10.532  -7.229   0.072  1.00  0.00           C  
HETATM   45  C   UNL     1      10.557  -7.993  -1.083  1.00  0.00           C  
HETATM   46  C   UNL     1       9.499  -7.945  -1.976  1.00  0.00           C  
HETATM   47  O   UNL     1       9.528  -8.702  -3.105  1.00  0.00           O  
HETATM   48  C   UNL     1       8.402  -7.131  -1.711  1.00  0.00           C  
HETATM   49  O   UNL     1       7.363  -7.081  -2.584  1.00  0.00           O  
HETATM   50  H   UNL     1       2.730  -5.978   2.499  1.00  0.00           H  
HETATM   51  H   UNL     1       2.145  -5.274   0.971  1.00  0.00           H  
HETATM   52  H   UNL     1       3.743  -3.351   2.283  1.00  0.00           H  
HETATM   53  H   UNL     1       6.220  -3.360   2.101  1.00  0.00           H  
HETATM   54  H   UNL     1       5.650  -3.361  -0.897  1.00  0.00           H  
HETATM   55  H   UNL     1       5.104  -2.151   0.288  1.00  0.00           H  
HETATM   56  H   UNL     1       7.920  -2.323   0.426  1.00  0.00           H  
HETATM   57  H   UNL     1       9.386  -1.088  -1.152  1.00  0.00           H  
HETATM   58  H   UNL     1       7.768   1.325  -0.220  1.00  0.00           H  
HETATM   59  H   UNL     1       8.720   0.224   0.805  1.00  0.00           H  
HETATM   60  H   UNL     1      10.427   1.297  -1.173  1.00  0.00           H  
HETATM   61  H   UNL     1      12.262   2.719   0.196  1.00  0.00           H  
HETATM   62  H   UNL     1      11.310   3.820  -0.828  1.00  0.00           H  
HETATM   63  H   UNL     1      10.804   4.460   1.875  1.00  0.00           H  
HETATM   64  H   UNL     1      10.817   5.708   3.220  1.00  0.00           H  
HETATM   65  H   UNL     1      10.990   7.454   4.937  1.00  0.00           H  
HETATM   66  H   UNL     1      12.859   9.052   4.898  1.00  0.00           H  
HETATM   67  H   UNL     1      15.562   8.808   3.638  1.00  0.00           H  
HETATM   68  H   UNL     1      14.426   7.660   0.417  1.00  0.00           H  
HETATM   69  H   UNL     1       9.278  -0.014  -3.207  1.00  0.00           H  
HETATM   70  H   UNL     1       9.428   0.687  -4.895  1.00  0.00           H  
HETATM   71  H   UNL     1       9.472   1.725  -7.120  1.00  0.00           H  
HETATM   72  H   UNL     1       7.746   3.354  -7.763  1.00  0.00           H  
HETATM   73  H   UNL     1       4.985   3.749  -6.678  1.00  0.00           H  
HETATM   74  H   UNL     1       4.900   2.432  -3.824  1.00  0.00           H  
HETATM   75  H   UNL     1       7.949  -4.781   1.488  1.00  0.00           H  
HETATM   76  H   UNL     1       9.442  -5.820   1.247  1.00  0.00           H  
HETATM   77  H   UNL     1      11.361  -7.272   0.762  1.00  0.00           H  
HETATM   78  H   UNL     1      11.405  -8.628  -1.289  1.00  0.00           H  
HETATM   79  H   UNL     1       9.924  -8.257  -3.867  1.00  0.00           H  
HETATM   80  H   UNL     1       6.671  -7.733  -2.408  1.00  0.00           H  
HETATM   81  N   UNL     1       1.295  -4.234   4.058  1.00  0.00           N  
HETATM   82  N   UNL     1       0.283  -3.487   4.331  1.00  0.00           N  
HETATM   83  N   UNL     1      -0.245  -3.041   3.245  1.00  0.00           N  
HETATM   84  C   UNL     1       0.467  -3.520   2.199  1.00  0.00           C  
HETATM   85  C   UNL     1      -1.413  -2.161   3.157  1.00  0.00           C  
HETATM   86  C   UNL     1      -2.586  -2.794   3.909  1.00  0.00           C  
HETATM   87  O   UNL     1      -3.725  -1.936   3.823  1.00  0.00           O  
HETATM   88  C   UNL     1      -4.882  -2.436   4.497  1.00  0.00           C  
HETATM   89  C   UNL     1      -6.034  -1.442   4.340  1.00  0.00           C  
HETATM   90  O   UNL     1      -6.405  -1.357   2.962  1.00  0.00           O  
HETATM   91  C   UNL     1      -7.479  -0.449   2.705  1.00  0.00           C  
HETATM   92  C   UNL     1      -7.786  -0.440   1.229  1.00  0.00           C  
HETATM   93  N   UNL     1      -8.769   0.348   0.751  1.00  0.00           N  
HETATM   94  O   UNL     1      -7.147  -1.140   0.473  1.00  0.00           O  
HETATM   95  C   UNL     1      -9.084   0.373  -0.686  1.00  0.00           C  
HETATM   96  C   UNL     1     -10.591   0.153  -0.857  1.00  0.00           C  
HETATM   97  N   UNL     1     -11.321   1.134  -0.044  1.00  0.00           N  
HETATM   98  C   UNL     1     -11.043   0.953   1.387  1.00  0.00           C  
HETATM   99  C   UNL     1      -9.559   1.201   1.651  1.00  0.00           C  
HETATM  100  C   UNL     1     -12.698   1.073  -0.299  1.00  0.00           C  
HETATM  101  C   UNL     1     -13.177   1.310  -1.580  1.00  0.00           C  
HETATM  102  C   UNL     1     -14.534   1.250  -1.832  1.00  0.00           C  
HETATM  103  C   UNL     1     -15.419   0.952  -0.804  1.00  0.00           C  
HETATM  104  C   UNL     1     -14.941   0.715   0.477  1.00  0.00           C  
HETATM  105  C   UNL     1     -13.583   0.769   0.729  1.00  0.00           C  
HETATM  106  F   UNL     1     -13.117   0.538   1.976  1.00  0.00           F  
HETATM  107  N   UNL     1     -16.796   0.892  -1.061  1.00  0.00           N  
HETATM  108  C   UNL     1     -17.377   1.101  -2.250  1.00  0.00           C  
HETATM  109  O   UNL     1     -18.709   0.985  -2.230  1.00  0.00           O  
HETATM  110  C   UNL     1     -19.147   0.656  -0.879  1.00  0.00           C  
HETATM  111  C   UNL     1     -17.838   0.584  -0.070  1.00  0.00           C  
HETATM  112  O   UNL     1     -16.750   1.371  -3.256  1.00  0.00           O  
HETATM  113  C   UNL     1     -20.064   1.751  -0.331  1.00  0.00           C  
HETATM  114  N   UNL     1     -21.309   1.777  -1.102  1.00  0.00           N  
HETATM  115  C   UNL     1     -22.273   2.668  -0.795  1.00  0.00           C  
HETATM  116  C   UNL     1     -23.554   2.694  -1.588  1.00  0.00           C  
HETATM  117  O   UNL     1     -22.109   3.448   0.119  1.00  0.00           O  
HETATM  118  H   UNL     1       0.285  -3.334   1.151  1.00  0.00           H  
HETATM  119  H   UNL     1      -1.175  -1.195   3.602  1.00  0.00           H  
HETATM  120  H   UNL     1      -1.685  -2.022   2.111  1.00  0.00           H  
HETATM  121  H   UNL     1      -2.824  -3.760   3.464  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.314  -2.933   4.956  1.00  0.00           H  
HETATM  123  H   UNL     1      -5.168  -3.395   4.064  1.00  0.00           H  
HETATM  124  H   UNL     1      -4.658  -2.568   5.555  1.00  0.00           H  
HETATM  125  H   UNL     1      -6.888  -1.780   4.926  1.00  0.00           H  
HETATM  126  H   UNL     1      -5.717  -0.460   4.692  1.00  0.00           H  
HETATM  127  H   UNL     1      -8.363  -0.767   3.257  1.00  0.00           H  
HETATM  128  H   UNL     1      -7.192   0.553   3.023  1.00  0.00           H  
HETATM  129  H   UNL     1      -8.805   1.339  -1.105  1.00  0.00           H  
HETATM  130  H   UNL     1      -8.538  -0.422  -1.194  1.00  0.00           H  
HETATM  131  H   UNL     1     -10.860   0.278  -1.906  1.00  0.00           H  
HETATM  132  H   UNL     1     -10.851  -0.855  -0.532  1.00  0.00           H  
HETATM  133  H   UNL     1     -11.640   1.658   1.966  1.00  0.00           H  
HETATM  134  H   UNL     1     -11.296  -0.066   1.681  1.00  0.00           H  
HETATM  135  H   UNL     1      -9.325   0.957   2.688  1.00  0.00           H  
HETATM  136  H   UNL     1      -9.322   2.247   1.457  1.00  0.00           H  
HETATM  137  H   UNL     1     -12.489   1.542  -2.379  1.00  0.00           H  
HETATM  138  H   UNL     1     -14.906   1.434  -2.828  1.00  0.00           H  
HETATM  139  H   UNL     1     -15.630   0.484   1.276  1.00  0.00           H  
HETATM  140  H   UNL     1     -19.654  -0.310  -0.867  1.00  0.00           H  
HETATM  141  H   UNL     1     -17.698  -0.415   0.343  1.00  0.00           H  
HETATM  142  H   UNL     1     -17.837   1.331   0.724  1.00  0.00           H  
HETATM  143  H   UNL     1     -20.288   1.546   0.716  1.00  0.00           H  
HETATM  144  H   UNL     1     -19.565   2.717  -0.414  1.00  0.00           H  
HETATM  145  H   UNL     1     -21.441   1.153  -1.832  1.00  0.00           H  
HETATM  146  H   UNL     1     -23.519   1.927  -2.361  1.00  0.00           H  
HETATM  147  H   UNL     1     -24.397   2.503  -0.923  1.00  0.00           H  
HETATM  148  H   UNL     1     -23.674   3.673  -2.053  1.00  0.00           H  
CONECT    1    2   81   84   84                                       
CONECT    2    1    3   50   51                                       
CONECT    3    2    4   52                                            
CONECT    4    5    5    3    6                                       
CONECT    5    4    4                                                 
CONECT    6    4   39    7   53                                       
CONECT    7    8    6   54   55                                       
CONECT    8    9    7   56                                            
CONECT    9   11   10   10    8                                       
CONECT   10    9    9                                                 
CONECT   11   12   28    9   57                                       
CONECT   12   13   11   58   59                                       
CONECT   13   14   12   60                                            
CONECT   14   15   15   16   13                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   61   62                                       
CONECT   17   18   16   63                                            
CONECT   18   19   19   20   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   26   26                                       
CONECT   21   22   22   20   64                                       
CONECT   22   21   21   23   65                                       
CONECT   23   22   24   24   66                                       
CONECT   24   23   23   26   25                                       
CONECT   25   24   67                                                 
CONECT   26   20   20   24   27                                       
CONECT   27   26   68                                                 
CONECT   28   11   29   69                                            
CONECT   29   28   31   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   37   29   32   32                                       
CONECT   32   31   31   33   70                                       
CONECT   33   32   34   34   71                                       
CONECT   34   35   33   33   72                                       
CONECT   35   36   37   37   34                                       
CONECT   36   35   73                                                 
CONECT   37   38   35   35   31                                       
CONECT   38   37   74                                                 
CONECT   39    6   40   75                                            
CONECT   40   39   42   41   41                                       
CONECT   41   40   40                                                 
CONECT   42   48   40   43   43                                       
CONECT   43   42   42   44   76                                       
CONECT   44   45   45   43   77                                       
CONECT   45   46   44   44   78                                       
CONECT   46   47   48   48   45                                       
CONECT   47   46   79                                                 
CONECT   48   49   46   46   42                                       
CONECT   49   48   80                                                 
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   32                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   36                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   43                                                      
CONECT   77   44                                                      
CONECT   78   45                                                      
CONECT   79   47                                                      
CONECT   80   49                                                      
CONECT   81    1   82   82                                            
CONECT   82   81   81   83                                            
CONECT   83   82   84   85                                            
CONECT   84   83    1    1  118                                       
CONECT   85   83   86  119  120                                       
CONECT   86   85   87  121  122                                       
CONECT   87   86   88                                                 
CONECT   88   87   89  123  124                                       
CONECT   89   88   90  125  126                                       
CONECT   90   89   91                                                 
CONECT   91   90   92  127  128                                       
CONECT   92   91   93   94   94                                       
CONECT   93   92   95   99                                            
CONECT   94   92   92                                                 
CONECT   95   93   96  129  130                                       
CONECT   96   95   97  131  132                                       
CONECT   97   96   98  100                                            
CONECT   98   97   99  133  134                                       
CONECT   99   98   93  135  136                                       
CONECT  100   97  101  105  105                                       
CONECT  101  100  102  102  137                                       
CONECT  102  101  101  103  138                                       
CONECT  103  102  104  104  107                                       
CONECT  104  103  103  105  139                                       
CONECT  105  104  100  100  106                                       
CONECT  106  105                                                      
CONECT  107  103  108  111                                            
CONECT  108  107  109  112  112                                       
CONECT  109  108  110                                                 
CONECT  110  109  111  113  140                                       
CONECT  111  110  107  141  142                                       
CONECT  112  108  108                                                 
CONECT  113  110  114  143  144                                       
CONECT  114  113  115  145                                            
CONECT  115  114  116  117  117                                       
CONECT  116  115  146  147  148                                       
CONECT  117  115  115                                                 
CONECT  118   84                                                      
CONECT  119   85                                                      
CONECT  120   85                                                      
CONECT  121   86                                                      
CONECT  122   86                                                      
CONECT  123   88                                                      
CONECT  124   88                                                      
CONECT  125   89                                                      
CONECT  126   89                                                      
CONECT  127   91                                                      
CONECT  128   91                                                      
CONECT  129   95                                                      
CONECT  130   95                                                      
CONECT  131   96                                                      
CONECT  132   96                                                      
CONECT  133   98                                                      
CONECT  134   98                                                      
CONECT  135   99                                                      
CONECT  136   99                                                      
CONECT  137  101                                                      
CONECT  138  102                                                      
CONECT  139  104                                                      
CONECT  140  110                                                      
CONECT  141  111                                                      
CONECT  142  111                                                      
CONECT  143  113                                                      
CONECT  144  113                                                      
CONECT  145  114                                                      
CONECT  146  116                                                      
CONECT  147  116                                                      
CONECT  148  116                                                      
MASTER        0    0    0    0    0    0    0    0  148    0  148    0
END
