COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       0.264   4.647  -2.125  1.00  0.00           C  
HETATM    2  CA  UNL     1      -2.244   0.466   0.517  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.786   0.258   0.195  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.536   2.651  -0.529  1.00  0.00           C  
HETATM    5  CA  UNL     1       1.334   1.173  -0.782  1.00  0.00           C  
HETATM    6  C   UNL     1       2.228   0.787   0.369  1.00  0.00           C  
HETATM    7  C   UNL     1       0.382   3.220  -1.623  1.00  0.00           C  
HETATM    8  CA  UNL     1       4.326  -0.086   1.249  1.00  0.00           C  
HETATM    9  C   UNL     1       5.326  -1.146   0.785  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.099   3.471  -3.040  1.00  0.00           C  
HETATM   11  C   UNL     1       4.576  -2.426   0.409  1.00  0.00           C  
HETATM   12  C   UNL     1       5.569  -3.525  -0.034  1.00  0.00           C  
HETATM   13  C   UNL     1       5.588  -3.332  -1.567  1.00  0.00           C  
HETATM   14  C   UNL     1       3.711  -2.193  -0.810  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.970  -0.405   2.843  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.638  -0.869  -1.886  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.170  -1.145   0.540  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.957  -3.155  -0.929  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.395   0.801   2.002  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.510   2.000   2.347  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.856   1.142   2.302  1.00  0.00           C  
HETATM   22  C   UNL     1       1.740   2.564  -1.319  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.424  -1.747  -0.652  1.00  0.00           C  
HETATM   24  C   UNL     1       5.083   1.148   1.742  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.306  -0.693  -0.067  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.990  -0.758   0.214  1.00  0.00           N  
HETATM   27  N   UNL     1      -0.061   1.268  -0.325  1.00  0.00           N  
HETATM   28  N   UNL     1       3.457   0.289   0.130  1.00  0.00           N  
HETATM   29  N   UNL     1       4.298  -2.716  -1.900  1.00  0.00           N  
HETATM   30  N   UNL     1      -4.993  -1.819  -0.346  1.00  0.00           N  
HETATM   31  O   UNL     1       2.642  -1.620  -0.804  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.875   0.382  -0.070  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.266  -0.818   0.403  1.00  0.00           O  
HETATM   34  O   UNL     1       1.841   0.926   1.510  1.00  0.00           O  
HETATM   35  O   UNL     1       5.965   1.608   0.716  1.00  0.00           O  
HETATM   36  H   UNL     1      -0.554   5.252  -1.735  1.00  0.00           H  
HETATM   37  H   UNL     1       1.188   5.184  -2.337  1.00  0.00           H  
HETATM   38  HA  UNL     1      -2.635   1.287  -0.082  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.433   3.227   0.391  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.573   2.651  -0.865  1.00  0.00           H  
HETATM   41  HA  UNL     1       1.414   0.431  -1.577  1.00  0.00           H  
HETATM   42  HA  UNL     1       3.719  -0.489   2.061  1.00  0.00           H  
HETATM   43  H   UNL     1       5.871  -0.776  -0.083  1.00  0.00           H  
HETATM   44  H   UNL     1       6.028  -1.360   1.591  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.155   3.304  -3.251  1.00  0.00           H  
HETATM   46  H   UNL     1       0.587   3.236  -3.853  1.00  0.00           H  
HETATM   47  H   UNL     1       3.970  -2.772   1.247  1.00  0.00           H  
HETATM   48  H   UNL     1       6.557  -3.353   0.393  1.00  0.00           H  
HETATM   49  H   UNL     1       5.198  -4.515   0.230  1.00  0.00           H  
HETATM   50  H   UNL     1       6.407  -2.673  -1.854  1.00  0.00           H  
HETATM   51  H   UNL     1       5.685  -4.296  -2.067  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.600  -1.260   2.597  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.929  -0.648   2.630  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.078  -0.166   3.901  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.703  -0.816  -2.113  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.258   0.134  -1.689  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.106  -1.298  -2.735  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.235  -1.091   0.312  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.018  -1.770   1.419  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.791  -0.142   0.737  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.424  -3.584  -1.778  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.804  -3.780  -0.049  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.021  -3.102  -1.156  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.463   1.728   2.218  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.753   2.833   1.687  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.684   2.294   3.382  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.964   1.381   3.360  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.159   2.001   1.703  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.486   0.287   2.056  1.00  0.00           H  
HETATM   70  H   UNL     1       2.281   3.129  -0.559  1.00  0.00           H  
HETATM   71  H   UNL     1       2.335   2.469  -2.227  1.00  0.00           H  
HETATM   72  H1  UNL     1       4.371   1.936   1.990  1.00  0.00           H  
HETATM   73  H2  UNL     1       5.661   0.890   2.630  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.536  -1.616   0.216  1.00  0.00           H  
HETATM   75  H   UNL     1       3.766   0.177  -0.782  1.00  0.00           H  
HETATM   76  H   UNL     1       3.919  -2.688  -2.792  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.539  -2.676  -0.344  1.00  0.00           H  
HETATM   78  H   UNL     1       6.479   2.390   0.960  1.00  0.00           H  
CONECT    1    7   10   36   37                                       
CONECT    2   19   26    3   38                                       
CONECT    3    2   27   33   33                                       
CONECT    4    7   27   39   40                                       
CONECT    5   27   22    6   41                                       
CONECT    6   34   34    5   28                                       
CONECT    7    1    4   22   10                                       
CONECT    8   28   24    9   42                                       
CONECT    9    8   11   43   44                                       
CONECT   10    1    7   45   46                                       
CONECT   11   12    9   14   47                                       
CONECT   12   13   11   48   49                                       
CONECT   13   12   29   50   51                                       
CONECT   14   11   29   31   31                                       
CONECT   15   19   52   53   54                                       
CONECT   16   23   55   56   57                                       
CONECT   17   23   58   59   60                                       
CONECT   18   23   61   62   63                                       
CONECT   19   15   20   21    2                                       
CONECT   20   19   64   65   66                                       
CONECT   21   19   67   68   69                                       
CONECT   22    7    5   70   71                                       
CONECT   23   16   18   30   17                                       
CONECT   24    8   35   72   73                                       
CONECT   25   32   32   26   30                                       
CONECT   26    2   25   74                                            
CONECT   27    4    3    5                                            
CONECT   28    6    8   75                                            
CONECT   29   13   14   76                                            
CONECT   30   25   23   77                                            
CONECT   31   14   14                                                 
CONECT   32   25   25                                                 
CONECT   33    3    3                                                 
CONECT   34    6    6                                                 
CONECT   35   24   78                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   24                                                      
CONECT   73   24                                                      
CONECT   74   26                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   35                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
