COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.799  -4.387   1.122  1.00  0.00           O  
HETATM    2  C   UNL     1       1.223  -3.244   1.150  1.00  0.00           C  
HETATM    3  C   UNL     1       0.561  -2.230   0.425  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.620  -2.179  -0.440  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.624  -1.073  -0.293  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.694  -0.560   0.677  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.761   1.146   1.425  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.409  -1.235   0.271  1.00  0.00           O  
HETATM    9  O   UNL     1      -7.697   0.726  -1.209  1.00  0.00           O  
HETATM   10  S   UNL     1      -7.233   0.150   0.004  1.00  0.00           S  
HETATM   11  N   UNL     1      -5.590   0.349  -0.053  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.988   1.441  -0.834  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.161   1.981  -2.453  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.907   0.849  -1.745  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.961   0.070  -0.935  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.816  -0.371  -1.742  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.736  -0.902  -0.835  1.00  0.00           C  
HETATM   18  O   UNL     1       0.254  -0.165  -0.299  1.00  0.00           O  
HETATM   19  C   UNL     1       1.054  -0.924   0.463  1.00  0.00           C  
HETATM   20  C   UNL     1       5.135   1.230  -1.752  1.00  0.00           C  
HETATM   21  C   UNL     1       5.003   0.961  -3.253  1.00  0.00           C  
HETATM   22  O   UNL     1       5.959  -0.027  -3.645  1.00  0.00           O  
HETATM   23  C   UNL     1       5.793  -1.289  -2.996  1.00  0.00           C  
HETATM   24  C   UNL     1       5.957  -1.110  -1.484  1.00  0.00           C  
HETATM   25  C   UNL     1       4.937  -0.082  -0.987  1.00  0.00           C  
HETATM   26  C   UNL     1       5.144   0.162   0.509  1.00  0.00           C  
HETATM   27 CL   UNL     1       2.612   4.462   2.121  1.00  0.00          Cl  
HETATM   28  N   UNL     1       2.183   1.778   1.747  1.00  0.00           N  
HETATM   29  C   UNL     1       3.011   2.829   1.686  1.00  0.00           C  
HETATM   30  C   UNL     1       4.206   2.403   1.230  1.00  0.00           C  
HETATM   31  N   UNL     1       4.094   1.054   1.009  1.00  0.00           N  
HETATM   32  C   UNL     1       2.819   0.700   1.342  1.00  0.00           C  
HETATM   33  C   UNL     1       2.251  -0.662   1.263  1.00  0.00           C  
HETATM   34  C   UNL     1       2.833  -1.697   1.935  1.00  0.00           C  
HETATM   35  N   UNL     1       2.319  -2.954   1.877  1.00  0.00           N  
HETATM   36  C   UNL     1       2.981  -4.027   2.624  1.00  0.00           C  
HETATM   37  H   UNL     1      -1.266  -3.003  -0.706  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.888  -1.661   0.254  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.093  -1.696  -1.055  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.266  -1.401   1.070  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.216  -0.024   1.497  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.275   0.776   2.328  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.483   2.187   1.262  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.843   1.072   1.538  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.755   1.923  -1.440  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.542   2.171  -0.158  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.586   2.551  -1.723  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.486   1.561  -3.199  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.879   2.639  -2.943  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.372   0.200  -2.487  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.135  -1.158  -2.426  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.428   0.472  -2.314  1.00  0.00           H  
HETATM   53  H   UNL     1       6.127   1.629  -1.539  1.00  0.00           H  
HETATM   54  H   UNL     1       4.378   1.951  -1.444  1.00  0.00           H  
HETATM   55  H   UNL     1       3.998   0.599  -3.471  1.00  0.00           H  
HETATM   56  H   UNL     1       5.186   1.882  -3.806  1.00  0.00           H  
HETATM   57  H   UNL     1       4.798  -1.680  -3.210  1.00  0.00           H  
HETATM   58  H   UNL     1       6.545  -1.988  -3.363  1.00  0.00           H  
HETATM   59  H   UNL     1       5.787  -2.064  -0.984  1.00  0.00           H  
HETATM   60  H   UNL     1       6.965  -0.759  -1.266  1.00  0.00           H  
HETATM   61  H   UNL     1       3.927  -0.456  -1.160  1.00  0.00           H  
HETATM   62  H   UNL     1       5.098  -0.788   1.042  1.00  0.00           H  
HETATM   63  H   UNL     1       6.119   0.623   0.671  1.00  0.00           H  
HETATM   64  H   UNL     1       5.085   3.010   1.069  1.00  0.00           H  
HETATM   65  H   UNL     1       3.717  -1.513   2.528  1.00  0.00           H  
HETATM   66  H   UNL     1       2.446  -4.964   2.464  1.00  0.00           H  
HETATM   67  H   UNL     1       4.008  -4.132   2.275  1.00  0.00           H  
HETATM   68  H   UNL     1       2.980  -3.784   3.686  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   35    1    1    3                                       
CONECT    3    2   19   19    4                                       
CONECT    4    3   17   17   37                                       
CONECT    5   15    6   38   39                                       
CONECT    6    5   11   40   41                                       
CONECT    7   10   42   43   44                                       
CONECT    8   10   10                                                 
CONECT    9   10   10                                                 
CONECT   10   11    8    8    9                                       
CONECT   10    9    7                                                 
CONECT   11    6   12   10                                            
CONECT   12   14   11   45   46                                       
CONECT   13   14   47   48   49                                       
CONECT   14   15   13   12   50                                       
CONECT   15   16    5   14                                            
CONECT   16   17   15   51   52                                       
CONECT   17    4    4   18   16                                       
CONECT   18   19   17                                                 
CONECT   19    3    3   33   18                                       
CONECT   20   25   21   53   54                                       
CONECT   21   20   22   55   56                                       
CONECT   22   23   21                                                 
CONECT   23   24   22   57   58                                       
CONECT   24   25   23   59   60                                       
CONECT   25   26   24   20   61                                       
CONECT   26   31   25   62   63                                       
CONECT   27   29                                                      
CONECT   28   29   32   32                                            
CONECT   29   27   28   30   30                                       
CONECT   30   29   29   31   64                                       
CONECT   31   32   30   26                                            
CONECT   32   28   28   33   31                                       
CONECT   33   34   34   19   32                                       
CONECT   34   35   33   33   65                                       
CONECT   35   36    2   34                                            
CONECT   36   35   66   67   68                                       
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   30                                                      
CONECT   65   34                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
