COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.020  -3.729  -0.991  1.00  0.00           C  
HETATM    2  C   UNL     1       0.581  -1.339   0.375  1.00  0.00           C  
HETATM    3  C   UNL     1       2.434  -0.231   0.172  1.00  0.00           C  
HETATM    4  C   UNL     1       0.243  -0.009   0.248  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.122   0.559   0.249  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.402   1.706   0.994  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.676   2.232   0.993  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.680   1.623   0.252  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.405   0.483  -0.491  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.132  -0.047  -0.500  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.439  -1.898   0.606  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.320  -3.129   0.384  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.642  -1.376   2.030  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.123   3.382   0.944  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.385  -2.484   0.537  1.00  0.00           C  
HETATM   16  S   UNL     1      -4.684  -0.285  -1.429  1.00  0.00           S  
HETATM   17  O   UNL     1      -5.321   0.752  -2.164  1.00  0.00           O  
HETATM   18  O   UNL     1      -4.101  -1.426  -2.043  1.00  0.00           O  
HETATM   19  N   UNL     1      -5.807  -0.854  -0.354  1.00  0.00           N  
HETATM   20  O   UNL     1      -4.935   2.145   0.253  1.00  0.00           O  
HETATM   21  N   UNL     1       1.906  -1.438   0.326  1.00  0.00           N  
HETATM   22  N   UNL     1       1.418   0.686   0.120  1.00  0.00           N  
HETATM   23  N   UNL     1       1.704   2.045  -0.039  1.00  0.00           N  
HETATM   24  C   UNL     1       2.938   2.466  -0.139  1.00  0.00           C  
HETATM   25  C   UNL     1       4.010   1.569  -0.092  1.00  0.00           C  
HETATM   26  C   UNL     1       3.771   0.219   0.064  1.00  0.00           C  
HETATM   27 CL   UNL     1       3.250   4.162  -0.335  1.00  0.00          Cl  
HETATM   28  N   UNL     1       4.827  -0.684   0.113  1.00  0.00           N  
HETATM   29  C   UNL     1       6.207  -0.205   0.000  1.00  0.00           C  
HETATM   30  C   UNL     1       7.168  -1.393   0.084  1.00  0.00           C  
HETATM   31  N   UNL     1       8.547  -0.914  -0.029  1.00  0.00           N  
HETATM   32  C   UNL     1       9.571  -1.790   0.019  1.00  0.00           C  
HETATM   33  C   UNL     1      10.990  -1.297  -0.098  1.00  0.00           C  
HETATM   34  O   UNL     1       9.349  -2.974   0.157  1.00  0.00           O  
HETATM   35  O   UNL     1      -7.031  -1.130   2.254  1.00  0.00           O  
HETATM   36  H   UNL     1      -6.313  -3.023  -1.768  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.953  -3.936  -1.072  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.580  -4.657  -1.112  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.622   2.180   1.572  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.894   3.119   1.569  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.918  -0.931  -1.081  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.393  -2.169   0.464  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.370  -2.838   0.432  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.113  -3.869   1.157  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.285  -2.119   2.743  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.083  -0.449   2.160  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.515   4.155   0.476  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.174   3.667   0.899  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.823   3.265   1.986  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.572  -2.655   1.597  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.323  -2.242   0.036  1.00  0.00           H  
HETATM   52  H   UNL     1       0.041  -3.384   0.094  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.709  -0.496  -0.359  1.00  0.00           H  
HETATM   54  H   UNL     1       5.024   1.933  -0.177  1.00  0.00           H  
HETATM   55  H   UNL     1       4.650  -1.632   0.224  1.00  0.00           H  
HETATM   56  H   UNL     1       6.338   0.301  -0.957  1.00  0.00           H  
HETATM   57  H   UNL     1       6.418   0.491   0.811  1.00  0.00           H  
HETATM   58  H   UNL     1       7.036  -1.899   1.041  1.00  0.00           H  
HETATM   59  H   UNL     1       6.957  -2.090  -0.727  1.00  0.00           H  
HETATM   60  H   UNL     1       8.724   0.033  -0.139  1.00  0.00           H  
HETATM   61  H   UNL     1      10.990  -0.213  -0.215  1.00  0.00           H  
HETATM   62  H   UNL     1      11.543  -1.566   0.802  1.00  0.00           H  
HETATM   63  H   UNL     1      11.464  -1.756  -0.966  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.234  -0.796   3.138  1.00  0.00           H  
CONECT    1   12   36   37   38                                       
CONECT    2   15   21    4    4                                       
CONECT    3   21   21   22   26                                       
CONECT    4    2    2    5   22                                       
CONECT    5    6    4   10   10                                       
CONECT    6    7    7    5   39                                       
CONECT    7    6    6    8   40                                       
CONECT    8    7   20    9    9                                       
CONECT    9    8    8   10   16                                       
CONECT   10    5    5    9   41                                       
CONECT   11   12   13   19   42                                       
CONECT   12    1   11   43   44                                       
CONECT   13   35   11   45   46                                       
CONECT   14   20   47   48   49                                       
CONECT   15    2   50   51   52                                       
CONECT   16    9   19   17   17                                       
CONECT   16   18   18                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   11   16   53                                            
CONECT   20   14    8                                                 
CONECT   21    2    3    3                                            
CONECT   22    4    3   23                                            
CONECT   23   22   24   24                                            
CONECT   24   23   23   25   27                                       
CONECT   25   26   26   24   54                                       
CONECT   26    3   28   25   25                                       
CONECT   27   24                                                      
CONECT   28   26   29   55                                            
CONECT   29   28   30   56   57                                       
CONECT   30   29   31   58   59                                       
CONECT   31   30   32   60                                            
CONECT   32   31   33   34   34                                       
CONECT   33   32   61   62   63                                       
CONECT   34   32   32                                                 
CONECT   35   13   64                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   19                                                      
CONECT   54   25                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   35                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
