COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.612  -0.715   1.389  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.514   2.776   0.015  1.00  0.00           N  
HETATM    3  O   UNL     1       5.729   2.587  -1.875  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.862   5.759  -2.038  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.622   4.371  -1.684  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.878  -1.434   0.091  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.982   0.658   1.258  1.00  0.00           O  
HETATM    8  C   UNL     1      -3.402  -2.712   0.103  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.603  -0.811  -1.113  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.646  -3.372  -1.089  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.847  -1.469  -2.304  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.366  -2.750  -2.292  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.724   4.047  -0.381  1.00  0.00           C  
HETATM   14 CL   UNL     1      -4.304  -4.978  -1.073  1.00  0.00          Cl  
HETATM   15  C   UNL     1       4.361  -1.127  -0.216  1.00  0.00           C  
HETATM   16  C   UNL     1       4.369  -2.649  -0.059  1.00  0.00           C  
HETATM   17  C   UNL     1       5.733  -0.567   0.167  1.00  0.00           C  
HETATM   18  N   UNL     1       3.020  -3.174  -0.310  1.00  0.00           N  
HETATM   19  O   UNL     1      -5.004   4.900   0.437  1.00  0.00           O  
HETATM   20  C   UNL     1       5.765   0.937  -0.109  1.00  0.00           C  
HETATM   21  C   UNL     1       7.090   1.521   0.388  1.00  0.00           C  
HETATM   22  C   UNL     1       7.144   3.011   0.037  1.00  0.00           C  
HETATM   23  C   UNL     1       6.966   3.178  -1.474  1.00  0.00           C  
HETATM   24  C   UNL     1       5.640   1.184  -1.615  1.00  0.00           C  
HETATM   25  N   UNL     1       3.337  -0.551   0.659  1.00  0.00           N  
HETATM   26  C   UNL     1       2.059  -0.471   0.239  1.00  0.00           C  
HETATM   27  O   UNL     1       1.772  -0.790  -0.899  1.00  0.00           O  
HETATM   28  N   UNL     1       1.099  -0.039   1.081  1.00  0.00           N  
HETATM   29  C   UNL     1       0.610  -0.321   3.455  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.873  -0.194   3.102  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.123  -0.812   1.729  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.313  -0.051   0.674  1.00  0.00           C  
HETATM   33  C   UNL     1       1.444   0.447   2.424  1.00  0.00           C  
HETATM   34  C   UNL     1       2.990  -4.636  -0.167  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.340   0.930   1.610  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.624   2.423   1.433  1.00  0.00           C  
HETATM   37  H   UNL     1      -3.197  -1.175   2.185  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.290   2.095  -0.638  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.143   6.395  -1.521  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.749   5.884  -3.115  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.873   6.040  -1.744  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.620  -3.197   1.043  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.198   0.190  -1.122  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.633  -0.981  -3.243  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.556  -3.264  -3.223  1.00  0.00           H  
HETATM   46  H   UNL     1       4.140  -0.870  -1.252  1.00  0.00           H  
HETATM   47  H   UNL     1       5.068  -3.084  -0.773  1.00  0.00           H  
HETATM   48  H   UNL     1       4.677  -2.907   0.955  1.00  0.00           H  
HETATM   49  H   UNL     1       5.915  -0.746   1.226  1.00  0.00           H  
HETATM   50  H   UNL     1       6.504  -1.061  -0.424  1.00  0.00           H  
HETATM   51  H   UNL     1       2.343  -2.737   0.297  1.00  0.00           H  
HETATM   52  H   UNL     1       4.937   1.421   0.410  1.00  0.00           H  
HETATM   53  H   UNL     1       7.160   1.398   1.469  1.00  0.00           H  
HETATM   54  H   UNL     1       7.920   1.003  -0.093  1.00  0.00           H  
HETATM   55  H   UNL     1       6.343   3.537   0.558  1.00  0.00           H  
HETATM   56  H   UNL     1       8.107   3.422   0.338  1.00  0.00           H  
HETATM   57  H   UNL     1       7.789   2.686  -1.993  1.00  0.00           H  
HETATM   58  H   UNL     1       6.960   4.239  -1.724  1.00  0.00           H  
HETATM   59  H   UNL     1       4.679   0.809  -1.967  1.00  0.00           H  
HETATM   60  H   UNL     1       6.446   0.667  -2.136  1.00  0.00           H  
HETATM   61  H   UNL     1       3.579  -0.226   1.540  1.00  0.00           H  
HETATM   62  H   UNL     1       0.786   0.099   4.445  1.00  0.00           H  
HETATM   63  H   UNL     1       0.897  -1.373   3.449  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.470  -0.719   3.848  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.154   0.859   3.088  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.820  -1.859   1.740  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.681   0.973   0.600  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.412  -0.548  -0.291  1.00  0.00           H  
HETATM   69  H   UNL     1       2.504   0.278   2.612  1.00  0.00           H  
HETATM   70  H   UNL     1       1.222   1.512   2.495  1.00  0.00           H  
HETATM   71  H   UNL     1       3.288  -4.908   0.845  1.00  0.00           H  
HETATM   72  H   UNL     1       1.980  -4.999  -0.359  1.00  0.00           H  
HETATM   73  H   UNL     1       3.679  -5.085  -0.882  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.005   0.355   0.966  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.509   0.650   2.650  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.901   3.001   2.009  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.631   2.646   1.786  1.00  0.00           H  
CONECT    1    6    7   31   37                                       
CONECT    2   13   36   38                                            
CONECT    3   23   24                                                 
CONECT    4    5   39   40   41                                       
CONECT    5    4   13                                                 
CONECT    6    1    8    8    9                                       
CONECT    7    1   35                                                 
CONECT    8    6    6   10   42                                       
CONECT    9    6   11   11   43                                       
CONECT   10    8   12   12   14                                       
CONECT   11    9    9   12   44                                       
CONECT   12   10   10   11   45                                       
CONECT   13    2    5   19   19                                       
CONECT   14   10                                                      
CONECT   15   16   17   25   46                                       
CONECT   16   15   18   47   48                                       
CONECT   17   15   20   49   50                                       
CONECT   18   16   34   51                                            
CONECT   19   13   13                                                 
CONECT   20   17   21   24   52                                       
CONECT   21   20   22   53   54                                       
CONECT   22   21   23   55   56                                       
CONECT   23    3   22   57   58                                       
CONECT   24    3   20   59   60                                       
CONECT   25   15   26   61                                            
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   32   33                                            
CONECT   29   30   33   62   63                                       
CONECT   30   29   31   64   65                                       
CONECT   31    1   30   32   66                                       
CONECT   32   28   31   67   68                                       
CONECT   33   28   29   69   70                                       
CONECT   34   18   71   72   73                                       
CONECT   35    7   36   74   75                                       
CONECT   36    2   35   76   77                                       
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   35                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
