COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.888  -0.981   1.861  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.530  -0.702   0.549  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.437  -0.931  -0.479  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.692  -1.435  -0.191  1.00  0.00           C  
HETATM    5  C   UNL     1      -9.044  -1.712   1.117  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.143  -1.485   2.142  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.259  -0.191   0.262  1.00  0.00           N  
HETATM    8 CL   UNL     1      -6.996  -0.584  -2.121  1.00  0.00          Cl  
HETATM    9  C   UNL     1      -5.075   1.258   0.256  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.790   1.619  -0.492  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.688   0.801   0.038  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.875  -0.606  -0.339  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.267  -1.051   0.010  1.00  0.00           C  
HETATM   14  O   UNL     1      -4.499  -2.240   0.071  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.475   3.102  -0.283  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.968   1.335  -1.985  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.388   1.303  -0.427  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.265   0.500   0.232  1.00  0.00           C  
HETATM   19  C   UNL     1       1.087   1.102  -0.155  1.00  0.00           C  
HETATM   20  C   UNL     1       2.210   0.299   0.505  1.00  0.00           C  
HETATM   21  C   UNL     1       3.560   0.765  -0.043  1.00  0.00           C  
HETATM   22  C   UNL     1       4.645  -0.165   0.436  1.00  0.00           C  
HETATM   23  N   UNL     1       5.864  -0.130  -0.138  1.00  0.00           N  
HETATM   24  C   UNL     1       6.869  -1.136   0.216  1.00  0.00           C  
HETATM   25  C   UNL     1       8.154  -0.872  -0.571  1.00  0.00           C  
HETATM   26  N   UNL     1      -0.422   0.547   1.692  1.00  0.00           N  
HETATM   27  O   UNL     1       1.149   2.459   0.287  1.00  0.00           O  
HETATM   28  C   UNL     1       3.849   2.184   0.452  1.00  0.00           C  
HETATM   29  O   UNL     1       4.421  -0.944   1.338  1.00  0.00           O  
HETATM   30  C   UNL     1       4.003   2.171   1.975  1.00  0.00           C  
HETATM   31  C   UNL     1       5.143   2.693  -0.186  1.00  0.00           C  
HETATM   32  C   UNL     1       9.188  -1.906  -0.207  1.00  0.00           C  
HETATM   33  C   UNL     1       7.860  -0.951  -2.070  1.00  0.00           C  
HETATM   34  C   UNL     1       8.685   0.522  -0.228  1.00  0.00           C  
HETATM   35  N   UNL     1      10.407  -1.872  -0.780  1.00  0.00           N  
HETATM   36  O   UNL     1       8.923  -2.770   0.603  1.00  0.00           O  
HETATM   37  H   UNL     1      -6.183  -0.808   2.662  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.398  -1.613  -0.989  1.00  0.00           H  
HETATM   39  H   UNL     1     -10.024  -2.105   1.340  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.420  -1.706   3.162  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.925   1.728  -0.237  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.007   1.618   1.282  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.718  -0.717  -1.412  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.153  -1.223   0.197  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.541   3.349  -0.787  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.282   3.707  -0.697  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.378   3.306   0.783  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.199   0.279  -2.128  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.785   1.942  -2.376  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.047   1.581  -2.514  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.324   1.195  -1.510  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.288   2.355  -0.160  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.312  -0.535  -0.105  1.00  0.00           H  
HETATM   54  H   UNL     1       1.204   1.067  -1.238  1.00  0.00           H  
HETATM   55  H   UNL     1       2.183   0.454   1.584  1.00  0.00           H  
HETATM   56  H   UNL     1       2.076  -0.761   0.287  1.00  0.00           H  
HETATM   57  H   UNL     1       3.532   0.760  -1.133  1.00  0.00           H  
HETATM   58  H   UNL     1       6.076   0.560  -0.785  1.00  0.00           H  
HETATM   59  H   UNL     1       7.079  -1.079   1.284  1.00  0.00           H  
HETATM   60  H   UNL     1       6.491  -2.129  -0.028  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.382   1.497   2.030  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.279   0.097   1.978  1.00  0.00           H  
HETATM   63  H   UNL     1       0.977   2.573   1.232  1.00  0.00           H  
HETATM   64  H   UNL     1       3.024   2.840   0.176  1.00  0.00           H  
HETATM   65  H   UNL     1       4.880   1.585   2.247  1.00  0.00           H  
HETATM   66  H   UNL     1       4.122   3.193   2.336  1.00  0.00           H  
HETATM   67  H   UNL     1       3.115   1.727   2.425  1.00  0.00           H  
HETATM   68  H   UNL     1       5.049   2.663  -1.272  1.00  0.00           H  
HETATM   69  H   UNL     1       5.326   3.719   0.134  1.00  0.00           H  
HETATM   70  H   UNL     1       5.975   2.061   0.124  1.00  0.00           H  
HETATM   71  H   UNL     1       8.775  -0.763  -2.631  1.00  0.00           H  
HETATM   72  H   UNL     1       7.482  -1.944  -2.314  1.00  0.00           H  
HETATM   73  H   UNL     1       7.112  -0.203  -2.333  1.00  0.00           H  
HETATM   74  H   UNL     1       8.895   0.578   0.840  1.00  0.00           H  
HETATM   75  H   UNL     1       9.600   0.710  -0.789  1.00  0.00           H  
HETATM   76  H   UNL     1       7.937   1.270  -0.492  1.00  0.00           H  
HETATM   77  H   UNL     1      10.619  -1.181  -1.428  1.00  0.00           H  
HETATM   78  H   UNL     1      11.072  -2.537  -0.546  1.00  0.00           H  
CONECT    1    2    6    6   37                                       
CONECT    2    7    3    3    1                                       
CONECT    3    8    2    2    4                                       
CONECT    4    3    5    5   38                                       
CONECT    5    4    4    6   39                                       
CONECT    6    1    1    5   40                                       
CONECT    7    9   13    2                                            
CONECT    8    3                                                      
CONECT    9   10    7   41   42                                       
CONECT   10   15   16   11    9                                       
CONECT   11   17   10   12                                            
CONECT   12   11   13   43   44                                       
CONECT   13   12    7   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   10   45   46   47                                       
CONECT   16   10   48   49   50                                       
CONECT   17   18   11   51   52                                       
CONECT   18   19   17   26   53                                       
CONECT   19   27   18   20   54                                       
CONECT   20   19   21   55   56                                       
CONECT   21   22   28   20   57                                       
CONECT   22   23   21   29   29                                       
CONECT   23   24   22   58                                            
CONECT   24   25   23   59   60                                       
CONECT   25   32   33   34   24                                       
CONECT   26   18   61   62                                            
CONECT   27   19   63                                                 
CONECT   28   31   21   30   64                                       
CONECT   29   22   22                                                 
CONECT   30   28   65   66   67                                       
CONECT   31   28   68   69   70                                       
CONECT   32   35   36   36   25                                       
CONECT   33   25   71   72   73                                       
CONECT   34   25   74   75   76                                       
CONECT   35   32   77   78                                            
CONECT   36   32   32                                                 
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   35                                                      
CONECT   78   35                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
