COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -9.355   2.548  -2.941  1.00  0.00           N  
HETATM    2  C   UNL     1      -8.641   2.190  -1.708  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.363   1.473  -2.058  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.234   0.960  -3.149  1.00  0.00           O  
HETATM    5  C   UNL     1      -9.523   1.275  -0.856  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.763   2.044  -0.396  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.644   1.128   0.456  1.00  0.00           C  
HETATM    8  N   UNL     1     -12.832   1.864   0.895  1.00  0.00           N  
HETATM    9  C   UNL     1     -13.771   1.246   1.675  1.00  0.00           C  
HETATM   10  N   UNL     1     -13.605  -0.026   2.034  1.00  0.00           N  
HETATM   11  N   UNL     1     -14.850   1.915   2.074  1.00  0.00           N1+
HETATM   12  N   UNL     1      -6.362   1.403  -1.158  1.00  0.00           N  
HETATM   13  C   UNL     1      -5.119   0.706  -1.498  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.447   0.231  -0.235  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.693   0.772   0.822  1.00  0.00           O  
HETATM   16  C   UNL     1      -4.185   1.663  -2.243  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.776   2.805  -1.311  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.937   0.905  -2.699  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.574  -0.794  -0.281  1.00  0.00           N  
HETATM   20  C   UNL     1      -3.008  -1.331   0.959  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.653  -1.977   0.664  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.957  -2.380   1.541  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.444  -2.829   2.911  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.513  -1.656   3.891  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.310  -3.979   3.428  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.781  -1.002  -0.005  1.00  0.00           N  
HETATM   27  C   UNL     1       0.570  -1.547  -0.193  1.00  0.00           C  
HETATM   28  C   UNL     1       1.590  -0.485   0.127  1.00  0.00           C  
HETATM   29  O   UNL     1       1.227   0.618   0.478  1.00  0.00           O  
HETATM   30  C   UNL     1       0.741  -1.996  -1.646  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.207  -3.131  -1.936  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.441  -2.874  -2.505  1.00  0.00           C  
HETATM   33  C   UNL     1       0.158  -4.431  -1.637  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.310  -3.915  -2.770  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.711  -5.472  -1.903  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.947  -5.214  -2.467  1.00  0.00           C  
HETATM   37  N   UNL     1       2.905  -0.760   0.023  1.00  0.00           N  
HETATM   38  C   UNL     1       3.896   0.273   0.335  1.00  0.00           C  
HETATM   39  C   UNL     1       5.177  -0.021  -0.403  1.00  0.00           C  
HETATM   40  O   UNL     1       5.254  -0.997  -1.119  1.00  0.00           O  
HETATM   41  C   UNL     1       4.167   0.283   1.841  1.00  0.00           C  
HETATM   42  C   UNL     1       2.897   0.703   2.584  1.00  0.00           C  
HETATM   43  C   UNL     1       3.163   0.713   4.067  1.00  0.00           C  
HETATM   44  O   UNL     1       4.256   0.414   4.487  1.00  0.00           O  
HETATM   45  O   UNL     1       2.186   1.053   4.922  1.00  0.00           O  
HETATM   46  N   UNL     1       6.236   0.801  -0.268  1.00  0.00           N  
HETATM   47  C   UNL     1       7.481   0.516  -0.986  1.00  0.00           C  
HETATM   48  C   UNL     1       8.639   1.143  -0.253  1.00  0.00           C  
HETATM   49  O   UNL     1       8.443   1.768   0.768  1.00  0.00           O  
HETATM   50  C   UNL     1       7.399   1.094  -2.400  1.00  0.00           C  
HETATM   51  N   UNL     1       9.891   1.011  -0.733  1.00  0.00           N  
HETATM   52  C   UNL     1      11.017   1.621  -0.020  1.00  0.00           C  
HETATM   53  C   UNL     1      11.161   3.059  -0.447  1.00  0.00           C  
HETATM   54  O   UNL     1      10.398   3.528  -1.265  1.00  0.00           O  
HETATM   55  C   UNL     1      12.302   0.860  -0.351  1.00  0.00           C  
HETATM   56  C   UNL     1      12.205  -0.567   0.193  1.00  0.00           C  
HETATM   57  C   UNL     1      13.490  -1.328  -0.137  1.00  0.00           C  
HETATM   58  C   UNL     1      13.393  -2.754   0.407  1.00  0.00           C  
HETATM   59  N   UNL     1      12.137   3.824   0.082  1.00  0.00           N  
HETATM   60  H   UNL     1      -8.821   3.204  -3.491  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.582   1.725  -3.479  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.408   3.095  -1.147  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.828   0.412  -1.447  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.961   0.938   0.015  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.457   2.907   0.195  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.325   2.381  -1.268  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.950   0.265  -0.136  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.083   0.791   1.327  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.953   2.790   0.634  1.00  0.00           H  
HETATM   70  H   UNL     1     -12.818  -0.514   1.742  1.00  0.00           H  
HETATM   71  H   UNL     1     -14.270  -0.465   2.586  1.00  0.00           H  
HETATM   72  H   UNL     1     -14.971   2.841   1.813  1.00  0.00           H  
HETATM   73  H   UNL     1     -15.516   1.476   2.627  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.464   1.814  -0.285  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.344  -0.150  -2.134  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.701   2.070  -3.113  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.260   2.398  -0.442  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.111   3.486  -1.842  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.666   3.345  -0.986  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.234   0.031  -3.280  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.320   1.558  -3.316  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.367   0.585  -1.827  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.320  -1.177  -1.135  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.876  -0.522   1.678  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.192  -2.297   1.598  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.797  -2.841   0.015  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.953  -1.948   1.650  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.005  -3.238   0.871  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.411  -3.164   2.819  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.553  -1.361   4.031  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.090  -1.958   4.849  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.947  -0.815   3.492  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.260  -4.814   2.730  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.944  -4.299   4.404  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.343  -3.643   3.520  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.752  -0.133   0.506  1.00  0.00           H  
HETATM   97  H   UNL     1       0.714  -2.400   0.470  1.00  0.00           H  
HETATM   98  H   UNL     1       0.523  -1.162  -2.312  1.00  0.00           H  
HETATM   99  H   UNL     1       1.766  -2.330  -1.805  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.725  -1.859  -2.741  1.00  0.00           H  
HETATM  101  H   UNL     1       1.124  -4.633  -1.197  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.274  -3.714  -3.214  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.426  -6.487  -1.670  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.626  -6.027  -2.674  1.00  0.00           H  
HETATM  105  H   UNL     1       3.195  -1.642  -0.257  1.00  0.00           H  
HETATM  106  H   UNL     1       3.515   1.247   0.028  1.00  0.00           H  
HETATM  107  H   UNL     1       4.463  -0.715   2.163  1.00  0.00           H  
HETATM  108  H   UNL     1       4.967   0.989   2.061  1.00  0.00           H  
HETATM  109  H   UNL     1       2.601   1.701   2.261  1.00  0.00           H  
HETATM  110  H   UNL     1       2.096  -0.003   2.363  1.00  0.00           H  
HETATM  111  H   UNL     1       2.404   1.045   5.864  1.00  0.00           H  
HETATM  112  H   UNL     1       6.175   1.582   0.304  1.00  0.00           H  
HETATM  113  H   UNL     1       7.629  -0.563  -1.043  1.00  0.00           H  
HETATM  114  H   UNL     1       7.251   2.172  -2.343  1.00  0.00           H  
HETATM  115  H   UNL     1       8.325   0.881  -2.934  1.00  0.00           H  
HETATM  116  H   UNL     1       6.562   0.640  -2.930  1.00  0.00           H  
HETATM  117  H   UNL     1      10.048   0.511  -1.549  1.00  0.00           H  
HETATM  118  H   UNL     1      10.834   1.577   1.053  1.00  0.00           H  
HETATM  119  H   UNL     1      12.438   0.828  -1.432  1.00  0.00           H  
HETATM  120  H   UNL     1      13.152   1.366   0.108  1.00  0.00           H  
HETATM  121  H   UNL     1      12.069  -0.535   1.274  1.00  0.00           H  
HETATM  122  H   UNL     1      11.355  -1.073  -0.265  1.00  0.00           H  
HETATM  123  H   UNL     1      13.626  -1.359  -1.218  1.00  0.00           H  
HETATM  124  H   UNL     1      14.340  -0.821   0.321  1.00  0.00           H  
HETATM  125  H   UNL     1      13.257  -2.723   1.488  1.00  0.00           H  
HETATM  126  H   UNL     1      12.543  -3.260  -0.051  1.00  0.00           H  
HETATM  127  H   UNL     1      14.309  -3.296   0.171  1.00  0.00           H  
HETATM  128  H   UNL     1      12.746   3.449   0.736  1.00  0.00           H  
HETATM  129  H   UNL     1      12.229   4.750  -0.193  1.00  0.00           H  
CONECT    1    2   60   61                                            
CONECT    2    1    3    5   62                                       
CONECT    3    2    4    4   12                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   63   64                                       
CONECT    6    5    7   65   66                                       
CONECT    7    6    8   67   68                                       
CONECT    8    7    9   69                                            
CONECT    9    8   10   11   11                                       
CONECT   10    9   70   71                                            
CONECT   11    9    9   72   73                                       
CONECT   12   13   74    3                                            
CONECT   13   12   14   16   75                                       
CONECT   14   13   15   15   19                                       
CONECT   15   14   14                                                 
CONECT   16   13   17   18   76                                       
CONECT   17   16   77   78   79                                       
CONECT   18   16   80   81   82                                       
CONECT   19   20   83   14                                            
CONECT   20   19   21   22   84                                       
CONECT   21   20   85   86   26                                       
CONECT   22   20   23   87   88                                       
CONECT   23   22   24   25   89                                       
CONECT   24   23   90   91   92                                       
CONECT   25   23   93   94   95                                       
CONECT   26   27   96   21                                            
CONECT   27   26   28   30   97                                       
CONECT   28   27   29   29   37                                       
CONECT   29   28   28                                                 
CONECT   30   27   31   98   99                                       
CONECT   31   30   32   32   33                                       
CONECT   32   31   31   34  100                                       
CONECT   33   31   35   35  101                                       
CONECT   34   32   36   36  102                                       
CONECT   35   33   33   36  103                                       
CONECT   36   34   34   35  104                                       
CONECT   37   38  105   28                                            
CONECT   38   37   39   41  106                                       
CONECT   39   38   40   40   46                                       
CONECT   40   39   39                                                 
CONECT   41   38   42  107  108                                       
CONECT   42   41   43  109  110                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43  111                                                 
CONECT   46   47  112   39                                            
CONECT   47   46   48   50  113                                       
CONECT   48   47   49   49   51                                       
CONECT   49   48   48                                                 
CONECT   50   47  114  115  116                                       
CONECT   51   52  117   48                                            
CONECT   52   51   53   55  118                                       
CONECT   53   52   54   54   59                                       
CONECT   54   53   53                                                 
CONECT   55   52   56  119  120                                       
CONECT   56   55   57  121  122                                       
CONECT   57   56   58  123  124                                       
CONECT   58   57  125  126  127                                       
CONECT   59  128  129   53                                            
CONECT   60    1                                                      
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    5                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    6                                                      
CONECT   67    7                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70   10                                                      
CONECT   71   10                                                      
CONECT   72   11                                                      
CONECT   73   11                                                      
CONECT   74   12                                                      
CONECT   75   13                                                      
CONECT   76   16                                                      
CONECT   77   17                                                      
CONECT   78   17                                                      
CONECT   79   17                                                      
CONECT   80   18                                                      
CONECT   81   18                                                      
CONECT   82   18                                                      
CONECT   83   19                                                      
CONECT   84   20                                                      
CONECT   85   21                                                      
CONECT   86   21                                                      
CONECT   87   22                                                      
CONECT   88   22                                                      
CONECT   89   23                                                      
CONECT   90   24                                                      
CONECT   91   24                                                      
CONECT   92   24                                                      
CONECT   93   25                                                      
CONECT   94   25                                                      
CONECT   95   25                                                      
CONECT   96   26                                                      
CONECT   97   27                                                      
CONECT   98   30                                                      
CONECT   99   30                                                      
CONECT  100   32                                                      
CONECT  101   33                                                      
CONECT  102   34                                                      
CONECT  103   35                                                      
CONECT  104   36                                                      
CONECT  105   37                                                      
CONECT  106   38                                                      
CONECT  107   41                                                      
CONECT  108   41                                                      
CONECT  109   42                                                      
CONECT  110   42                                                      
CONECT  111   45                                                      
CONECT  112   46                                                      
CONECT  113   47                                                      
CONECT  114   50                                                      
CONECT  115   50                                                      
CONECT  116   50                                                      
CONECT  117   51                                                      
CONECT  118   52                                                      
CONECT  119   55                                                      
CONECT  120   55                                                      
CONECT  121   56                                                      
CONECT  122   56                                                      
CONECT  123   57                                                      
CONECT  124   57                                                      
CONECT  125   58                                                      
CONECT  126   58                                                      
CONECT  127   58                                                      
CONECT  128   59                                                      
CONECT  129   59                                                      
MASTER        0    0    0    0    0    0    0    0  129    0  129    0
END
