COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.079  -5.440  -1.261  1.00  0.00           C  
HETATM    2  N   UNL     1       5.208  -4.268  -1.151  1.00  0.00           N  
HETATM    3  C   UNL     1       5.438  -3.344  -0.197  1.00  0.00           C  
HETATM    4  O   UNL     1       6.369  -3.484   0.572  1.00  0.00           O  
HETATM    5  C   UNL     1       4.560  -2.161  -0.086  1.00  0.00           C  
HETATM    6  C   UNL     1       3.490  -2.005  -0.972  1.00  0.00           C  
HETATM    7  C   UNL     1       2.676  -0.896  -0.884  1.00  0.00           C  
HETATM    8  C   UNL     1       2.925   0.062   0.090  1.00  0.00           C  
HETATM    9  C   UNL     1       3.982  -0.103   1.006  1.00  0.00           C  
HETATM   10  C   UNL     1       4.799  -1.209   0.909  1.00  0.00           C  
HETATM   11  O   UNL     1       4.127   0.811   1.992  1.00  0.00           O  
HETATM   12  C   UNL     1       4.765   2.061   1.734  1.00  0.00           C  
HETATM   13  C   UNL     1       4.251   2.681   0.437  1.00  0.00           C  
HETATM   14  C   UNL     1       2.743   2.541   0.349  1.00  0.00           C  
HETATM   15  C   UNL     1       2.136   1.311   0.189  1.00  0.00           C  
HETATM   16  S   UNL     1       0.396   1.488   0.129  1.00  0.00           S  
HETATM   17  C   UNL     1       0.532   3.231   0.317  1.00  0.00           C  
HETATM   18  C   UNL     1       1.848   3.581   0.416  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.595   4.165   0.362  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.400   5.342   0.603  1.00  0.00           O  
HETATM   21  N   UNL     1      -1.847   3.722   0.136  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.961   4.672   0.074  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.083   2.359  -0.037  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.372   1.559   1.063  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.605   0.212   0.895  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.553  -0.350  -0.383  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.264   0.456  -1.487  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.036   1.803  -1.313  1.00  0.00           C  
HETATM   29 CL   UNL     1      -1.682   2.807  -2.685  1.00  0.00          Cl  
HETATM   30  C   UNL     1      -2.803  -1.793  -0.566  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.226  -2.404  -1.445  1.00  0.00           O  
HETATM   32  N   UNL     1      -3.671  -2.435   0.241  1.00  0.00           N  
HETATM   33  C   UNL     1      -3.847  -3.893   0.154  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.343  -4.196   0.026  1.00  0.00           C  
HETATM   35  N   UNL     1      -6.067  -3.547   1.128  1.00  0.00           N  
HETATM   36  C   UNL     1      -5.940  -2.086   1.062  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.463  -1.697   1.237  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.479  -3.953   1.141  1.00  0.00           C  
HETATM   39  H   UNL     1       6.044  -6.008  -0.331  1.00  0.00           H  
HETATM   40  H   UNL     1       5.739  -6.070  -2.083  1.00  0.00           H  
HETATM   41  H   UNL     1       7.102  -5.116  -1.450  1.00  0.00           H  
HETATM   42  H   UNL     1       4.465  -4.156  -1.764  1.00  0.00           H  
HETATM   43  H   UNL     1       3.302  -2.753  -1.727  1.00  0.00           H  
HETATM   44  H   UNL     1       1.849  -0.773  -1.568  1.00  0.00           H  
HETATM   45  H   UNL     1       5.623  -1.336   1.594  1.00  0.00           H  
HETATM   46  H   UNL     1       4.565   2.742   2.560  1.00  0.00           H  
HETATM   47  H   UNL     1       5.841   1.904   1.653  1.00  0.00           H  
HETATM   48  H   UNL     1       4.517   3.738   0.412  1.00  0.00           H  
HETATM   49  H   UNL     1       4.711   2.176  -0.412  1.00  0.00           H  
HETATM   50  H   UNL     1       2.164   4.606   0.538  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.147   4.945  -0.965  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.855   4.212   0.495  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.709   5.565   0.645  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.412   1.994   2.051  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.829  -0.408   1.750  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.223   0.024  -2.476  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.320  -4.273  -0.721  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.454  -4.363   1.056  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.712  -3.813  -0.925  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.501  -5.273   0.072  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.300  -1.732   0.096  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.530  -1.633   1.858  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.128  -1.960   2.240  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.344  -0.625   1.078  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.545  -5.034   1.268  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.991  -3.459   1.967  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.948  -3.668   0.200  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    1    3   42                                            
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6    6   10                                       
CONECT    6    5    5    7   43                                       
CONECT    7    6    8    8   44                                       
CONECT    8    7    7    9   15                                       
CONECT    9    8   10   10   11                                       
CONECT   10    5    9    9   45                                       
CONECT   11    9   12                                                 
CONECT   12   11   13   46   47                                       
CONECT   13   12   14   48   49                                       
CONECT   14   13   15   15   18                                       
CONECT   15    8   14   14   16                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   18   19                                       
CONECT   18   14   17   17   50                                       
CONECT   19   17   20   20   21                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   23                                            
CONECT   22   21   51   52   53                                       
CONECT   23   21   24   24   28                                       
CONECT   24   23   23   25   54                                       
CONECT   25   24   26   26   55                                       
CONECT   26   25   25   27   30                                       
CONECT   27   26   28   28   56                                       
CONECT   28   23   27   27   29                                       
CONECT   29   28                                                      
CONECT   30   26   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   37                                            
CONECT   33   32   34   57   58                                       
CONECT   34   33   35   59   60                                       
CONECT   35   34   36   38                                            
CONECT   36   35   37   61   62                                       
CONECT   37   32   36   63   64                                       
CONECT   38   35   65   66   67                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   18                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   27                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
CONECT   61   36                                                      
CONECT   62   36                                                      
CONECT   63   37                                                      
CONECT   64   37                                                      
CONECT   65   38                                                      
CONECT   66   38                                                      
CONECT   67   38                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
