COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.081   0.238   1.767  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.679  -0.278   0.819  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.935   0.369  -0.391  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.510   1.739  -0.648  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.647  -0.281  -1.489  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.174  -1.688   0.945  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.111  -2.659   0.428  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.522  -4.116   0.626  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.884  -4.406   2.087  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.276  -5.786   2.256  1.00  0.00           N  
HETATM   11  C   UNL     1      -0.356  -6.793   2.495  1.00  0.00           C  
HETATM   12  O   UNL     1       0.858  -6.630   2.587  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.915  -8.164   2.620  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.133  -9.225   2.851  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.933 -10.343   2.915  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.598 -11.683   3.134  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.638 -12.617   3.147  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.959 -12.222   2.947  1.00  0.00           C  
HETATM   19 CL   UNL     1      -4.215 -13.402   2.969  1.00  0.00          Cl  
HETATM   20  C   UNL     1      -2.208  -8.509   2.524  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.248  -9.919   2.711  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.280 -10.878   2.728  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.540  -1.981   2.405  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.954  -3.440   2.625  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.257  -3.687   2.046  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.435  -3.461   2.740  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.501  -3.039   3.892  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.655  -3.780   2.034  1.00  0.00           C  
HETATM   29  S   UNL     1      -7.182  -3.543   2.795  1.00  0.00           S  
HETATM   30  C   UNL     1      -7.933  -4.113   1.382  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.405  -4.268   1.190  1.00  0.00           C  
HETATM   32  N   UNL     1      -9.726  -4.404  -0.252  1.00  0.00           N  
HETATM   33  C   UNL     1     -11.136  -4.748  -0.427  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.857  -5.402  -0.915  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.374  -4.964  -0.903  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.987  -4.451   0.438  1.00  0.00           C  
HETATM   37  N   UNL     1      -5.675  -4.257   0.807  1.00  0.00           N  
HETATM   38  H   UNL     1      -0.608   2.339   0.260  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.126   2.185  -1.433  1.00  0.00           H  
HETATM   40  H   UNL     1       0.535   1.757  -0.970  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.694   0.033  -1.495  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.606  -1.367  -1.376  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.193  -0.010  -2.446  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.071  -1.763   0.319  1.00  0.00           H  
HETATM   45  H   UNL     1       0.842  -2.478   0.942  1.00  0.00           H  
HETATM   46  H   UNL     1       0.078  -2.474  -0.637  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.373  -4.348  -0.027  1.00  0.00           H  
HETATM   48  H   UNL     1       0.298  -4.771   0.307  1.00  0.00           H  
HETATM   49  H   UNL     1       0.023  -4.285   2.693  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.258  -6.005   2.130  1.00  0.00           H  
HETATM   51  H   UNL     1       0.872  -9.229   2.963  1.00  0.00           H  
HETATM   52  H   UNL     1       0.431 -11.991   3.290  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.395 -13.663   3.317  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.053  -7.858   2.341  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.311 -10.568   2.572  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.679  -1.755   3.048  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.345  -1.305   2.725  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.087  -3.612   3.700  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.280  -4.098   1.118  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.744  -5.154   1.743  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.931  -3.393   1.591  1.00  0.00           H  
HETATM   62  H   UNL     1     -11.694  -4.523   0.486  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.241  -5.813  -0.650  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.566  -4.173  -1.252  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.165  -5.533  -1.960  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.961  -6.378  -0.422  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.221  -4.167  -1.641  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.737  -5.808  -1.187  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    6                                       
CONECT    3    2    5    4                                            
CONECT    4    3   38   39   40                                       
CONECT    5    3   41   42   43                                       
CONECT    6    2    7   23   44                                       
CONECT    7    6    8   45   46                                       
CONECT    8    7    9   47   48                                       
CONECT    9    8   24   10   49                                       
CONECT   10    9   11   50                                            
CONECT   11   10   13   12   12                                       
CONECT   12   11   11                                                 
CONECT   13   11   20   20   14                                       
CONECT   14   13   15   51                                            
CONECT   15   14   21   21   16                                       
CONECT   16   15   17   17   52                                       
CONECT   17   16   16   18   53                                       
CONECT   18   17   22   22   19                                       
CONECT   19   18                                                      
CONECT   20   13   13   21   54                                       
CONECT   21   15   15   20   22                                       
CONECT   22   18   18   21   55                                       
CONECT   23    6   24   56   57                                       
CONECT   24    9   23   25   58                                       
CONECT   25   24   26   59                                            
CONECT   26   25   28   27   27                                       
CONECT   27   26   26                                                 
CONECT   28   26   37   37   29                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   36   36                                       
CONECT   31   30   32   60   61                                       
CONECT   32   31   33   34                                            
CONECT   33   32   62   63   64                                       
CONECT   34   32   35   65   66                                       
CONECT   35   34   36   67   68                                       
CONECT   36   30   30   35   37                                       
CONECT   37   28   28   36                                            
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   20                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
