COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.691   2.951   0.387  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.038   3.676   0.317  1.00  0.00           C  
HETATM    3  O   UNL     1      -7.706   3.314  -0.895  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.940   1.909  -1.025  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.603   1.166  -0.968  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.915   1.502   0.287  1.00  0.00           N  
HETATM    7  C   UNL     1      -4.713   0.800   0.402  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.522   1.490   0.590  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.709  -0.586   0.333  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.513  -1.283   0.447  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.509  -2.678   0.377  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.146  -3.209   0.521  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.194  -4.739   0.499  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.820  -5.174  -0.712  1.00  0.00           O  
HETATM   15  C   UNL     1      -4.150  -4.676  -0.883  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.121  -3.145  -0.875  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.322  -0.594   0.630  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.327   0.792   0.704  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.129   1.486   0.893  1.00  0.00           N  
HETATM   20  C   UNL     1       0.063   0.930   0.478  1.00  0.00           C  
HETATM   21  S   UNL     1       1.608   1.590   0.792  1.00  0.00           S  
HETATM   22  N   UNL     1       0.169  -0.175  -0.204  1.00  0.00           N  
HETATM   23  C   UNL     1       1.376  -0.570  -0.521  1.00  0.00           C  
HETATM   24  C   UNL     1       2.368   0.258  -0.075  1.00  0.00           C  
HETATM   25  C   UNL     1       3.804   0.071  -0.280  1.00  0.00           C  
HETATM   26  O   UNL     1       4.209  -0.896  -0.899  1.00  0.00           O  
HETATM   27  N   UNL     1       4.678   0.969   0.216  1.00  0.00           N  
HETATM   28  C   UNL     1       6.041   0.854  -0.078  1.00  0.00           C  
HETATM   29  C   UNL     1       6.702  -0.350   0.141  1.00  0.00           C  
HETATM   30 CL   UNL     1       5.837  -1.713   0.779  1.00  0.00          Cl  
HETATM   31  C   UNL     1       8.048  -0.459  -0.150  1.00  0.00           C  
HETATM   32  C   UNL     1       8.738   0.627  -0.658  1.00  0.00           C  
HETATM   33  C   UNL     1       8.083   1.825  -0.877  1.00  0.00           C  
HETATM   34  C   UNL     1       6.735   1.939  -0.594  1.00  0.00           C  
HETATM   35  C   UNL     1       6.022   3.244  -0.838  1.00  0.00           C  
HETATM   36  H   UNL     1      -5.057   3.279  -0.437  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.203   3.179   1.335  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.651   3.388   1.171  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.872   4.753   0.333  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.580   1.570  -0.211  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.428   1.709  -1.979  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.781   0.092  -1.010  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.984   1.465  -1.814  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.526   2.568   0.648  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.635  -1.123   0.191  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.528  -2.852  -0.303  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.722  -2.872   1.467  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.180  -5.136   0.547  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.767  -5.097   1.354  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.550  -5.027  -1.834  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.780  -5.033  -0.069  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.139  -2.762  -0.948  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.535  -2.788  -1.722  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.393  -1.136   0.718  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.135   2.359   1.317  1.00  0.00           H  
HETATM   56  H   UNL     1       1.570  -1.471  -1.083  1.00  0.00           H  
HETATM   57  H   UNL     1       4.362   1.694   0.777  1.00  0.00           H  
HETATM   58  H   UNL     1       8.562  -1.393   0.019  1.00  0.00           H  
HETATM   59  H   UNL     1       9.790   0.539  -0.885  1.00  0.00           H  
HETATM   60  H   UNL     1       8.625   2.671  -1.273  1.00  0.00           H  
HETATM   61  H   UNL     1       6.081   3.864   0.056  1.00  0.00           H  
HETATM   62  H   UNL     1       6.492   3.764  -1.673  1.00  0.00           H  
HETATM   63  H   UNL     1       4.976   3.047  -1.075  1.00  0.00           H  
CONECT    1    2    6   36   37                                       
CONECT    2    3    1   38   39                                       
CONECT    3    2    4                                                 
CONECT    4    3    5   40   41                                       
CONECT    5    4    6   42   43                                       
CONECT    6    1    5    7                                            
CONECT    7    6    8    8    9                                       
CONECT    8    7    7   18   44                                       
CONECT    9    7   10   10   45                                       
CONECT   10    9    9   17   11                                       
CONECT   11   10   12   16                                            
CONECT   12   11   13   46   47                                       
CONECT   13   12   14   48   49                                       
CONECT   14   13   15                                                 
CONECT   15   16   14   50   51                                       
CONECT   16   11   15   52   53                                       
CONECT   17   18   18   10   54                                       
CONECT   18    8   19   17   17                                       
CONECT   19   18   20   55                                            
CONECT   20   19   22   22   21                                       
CONECT   21   20   24                                                 
CONECT   22   20   20   23                                            
CONECT   23   22   24   24   56                                       
CONECT   24   23   23   21   25                                       
CONECT   25   24   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   57                                            
CONECT   28   27   34   34   29                                       
CONECT   29   28   30   31   31                                       
CONECT   30   29                                                      
CONECT   31   29   29   32   58                                       
CONECT   32   33   33   31   59                                       
CONECT   33   34   32   32   60                                       
CONECT   34   35   28   28   33                                       
CONECT   35   34   61   62   63                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    8                                                      
CONECT   45    9                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   23                                                      
CONECT   57   27                                                      
CONECT   58   31                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   35                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
