COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.741   1.109  -1.701  1.00  0.00           O  
HETATM    2  C   UNL     1       3.505   0.905  -0.527  1.00  0.00           C  
HETATM    3  O   UNL     1       3.926   1.780   0.406  1.00  0.00           O  
HETATM    4  C   UNL     1       4.657   2.943  -0.064  1.00  0.00           C  
HETATM    5  C   UNL     1       3.773   3.751  -1.015  1.00  0.00           C  
HETATM    6  C   UNL     1       5.051   3.814   1.131  1.00  0.00           C  
HETATM    7  C   UNL     1       5.918   2.489  -0.802  1.00  0.00           C  
HETATM    8  N   UNL     1       2.816  -0.193  -0.159  1.00  0.00           N  
HETATM    9  C   UNL     1       3.376  -1.418   0.154  1.00  0.00           C  
HETATM   10  C   UNL     1       4.824  -1.723   0.137  1.00  0.00           C  
HETATM   11  C   UNL     1       5.861  -0.828  -0.197  1.00  0.00           C  
HETATM   12  N   UNL     1       6.997  -1.466  -0.094  1.00  0.00           N  
HETATM   13  C   UNL     1       5.401  -2.923   0.447  1.00  0.00           C  
HETATM   14  N   UNL     1       6.735  -2.782   0.305  1.00  0.00           N  
HETATM   15  C   UNL     1       7.737  -3.825   0.534  1.00  0.00           C  
HETATM   16  C   UNL     1       1.444  -0.265  -0.031  1.00  0.00           C  
HETATM   17  C   UNL     1       1.125  -1.580   0.370  1.00  0.00           C  
HETATM   18  C   UNL     1       2.398  -2.295   0.480  1.00  0.00           C  
HETATM   19  C   UNL     1       0.405   0.639  -0.208  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.897   0.214   0.016  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.160  -1.031   0.393  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.209  -1.924   0.573  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.947   1.112  -0.158  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.264   0.670  -0.063  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.567  -0.666  -0.310  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.867  -1.107  -0.217  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.885  -0.211   0.125  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.578   1.130   0.372  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.274   1.564   0.283  1.00  0.00           C  
HETATM   30 CL   UNL     1      -3.890   3.228   0.596  1.00  0.00          Cl  
HETATM   31  C   UNL     1      -7.280  -0.680   0.224  1.00  0.00           C  
HETATM   32  O   UNL     1      -8.046  -0.149   1.005  1.00  0.00           O  
HETATM   33  N   UNL     1      -7.706  -1.698  -0.551  1.00  0.00           N  
HETATM   34  C   UNL     1      -9.053  -2.244  -0.368  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.821  -2.258  -1.576  1.00  0.00           C  
HETATM   36  H   UNL     1       2.874   4.075  -0.489  1.00  0.00           H  
HETATM   37  H   UNL     1       4.322   4.625  -1.368  1.00  0.00           H  
HETATM   38  H   UNL     1       3.493   3.131  -1.866  1.00  0.00           H  
HETATM   39  H   UNL     1       5.681   3.238   1.809  1.00  0.00           H  
HETATM   40  H   UNL     1       5.600   4.688   0.778  1.00  0.00           H  
HETATM   41  H   UNL     1       4.152   4.137   1.656  1.00  0.00           H  
HETATM   42  H   UNL     1       5.638   1.868  -1.653  1.00  0.00           H  
HETATM   43  H   UNL     1       6.467   3.362  -1.154  1.00  0.00           H  
HETATM   44  H   UNL     1       6.549   1.913  -0.124  1.00  0.00           H  
HETATM   45  H   UNL     1       2.531  -3.327   0.769  1.00  0.00           H  
HETATM   46  H   UNL     1       5.738   0.205  -0.486  1.00  0.00           H  
HETATM   47  H   UNL     1       4.883  -3.821   0.749  1.00  0.00           H  
HETATM   48  H   UNL     1       8.057  -3.800   1.575  1.00  0.00           H  
HETATM   49  H   UNL     1       7.304  -4.800   0.310  1.00  0.00           H  
HETATM   50  H   UNL     1       8.596  -3.652  -0.115  1.00  0.00           H  
HETATM   51  H   UNL     1       0.607   1.655  -0.514  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.465  -2.928   0.881  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.762   2.046  -0.345  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.781  -1.358  -0.574  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.102  -2.143  -0.409  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.362   1.824   0.636  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.753  -1.706  -1.007  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.055  -3.301  -0.635  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.352  -2.132   0.674  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.273  -3.103  -1.160  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.416  -2.592  -2.426  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.116  -1.494  -1.904  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    6    7                                       
CONECT    5    4   36   37   38                                       
CONECT    6    4   39   40   41                                       
CONECT    7    4   42   43   44                                       
CONECT    8    2    9   16                                            
CONECT    9    8   10   18   18                                       
CONECT   10    9   11   13   13                                       
CONECT   11   10   12   12   46                                       
CONECT   12   11   11   14                                            
CONECT   13   10   10   14   47                                       
CONECT   14   12   13   15                                            
CONECT   15   14   48   49   50                                       
CONECT   16    8   17   19   19                                       
CONECT   17   16   18   22   22                                       
CONECT   18    9    9   17   45                                       
CONECT   19   16   16   20   51                                       
CONECT   20   19   21   21   23                                       
CONECT   21   20   20   22                                            
CONECT   22   17   17   21   52                                       
CONECT   23   20   24   53                                            
CONECT   24   23   25   29   29                                       
CONECT   25   24   26   26   54                                       
CONECT   26   25   25   27   55                                       
CONECT   27   26   28   28   31                                       
CONECT   28   27   27   29   56                                       
CONECT   29   24   24   28   30                                       
CONECT   30   29                                                      
CONECT   31   27   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   35                                            
CONECT   34   33   57   58   59                                       
CONECT   35   33   60   61   62                                       
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45   18                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   19                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   28                                                      
CONECT   57   34                                                      
CONECT   58   34                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
CONECT   62   35                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
