COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.738  -5.723   1.006  1.00  0.00           C  
HETATM    2  N   UNL     1       0.382  -5.251   1.366  1.00  0.00           N  
HETATM    3  OXT UNL     1       3.762  -6.091   0.221  1.00  0.00           O  
HETATM    4  N   UNL     1       7.093   4.248   1.596  1.00  0.00           N  
HETATM    5  O   UNL     1       2.829  -5.829   2.207  1.00  0.00           O  
HETATM    6  C   UNL     1       6.174   4.618   0.723  1.00  0.00           C  
HETATM    7  C   UNL     1       5.444   2.460   0.417  1.00  0.00           C  
HETATM    8  C   UNL     1       6.406   2.015   1.339  1.00  0.00           C  
HETATM    9  C   UNL     1       7.247   2.972   1.934  1.00  0.00           C  
HETATM   10  C   UNL     1       5.318   0.271   0.650  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.648  -1.145  -1.399  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.598  -1.185  -0.200  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.934  -0.547  -0.585  1.00  0.00           C  
HETATM   14  CA  UNL     1       1.478  -5.171   0.392  1.00  0.00           C  
HETATM   15  C   UNL     1       1.701  -3.710  -0.005  1.00  0.00           C  
HETATM   16  C   UNL     1       0.474  -3.193  -0.757  1.00  0.00           C  
HETATM   17  N   UNL     1       0.634  -1.758  -1.028  1.00  0.00           N  
HETATM   18  C   UNL     1       3.674   1.296  -0.968  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.883  -0.586   0.614  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.317   0.281   1.738  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.433   1.278   2.320  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.957   0.794   0.993  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.237  -0.070   0.198  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.757  -0.486  -1.019  1.00  0.00           C  
HETATM   25  C   UNL     1       4.225   1.115  -2.400  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.995  -0.041  -1.437  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.721   0.825  -0.639  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.202   1.241   0.573  1.00  0.00           C  
HETATM   29  C   UNL     1       3.197   0.186  -3.083  1.00  0.00           C  
HETATM   30  C   UNL     1       2.146  -0.085  -1.983  1.00  0.00           C  
HETATM   31  C   UNL     1       1.647  -1.528  -2.068  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.342   0.415   2.786  1.00  0.00           N  
HETATM   33  N   UNL     1       5.365   3.758   0.141  1.00  0.00           N  
HETATM   34  N   UNL     1       8.213   2.593   2.850  1.00  0.00           N  
HETATM   35  N   UNL     1       6.275   0.670   1.436  1.00  0.00           N  
HETATM   36  N   UNL     1       4.774   1.338  -0.001  1.00  0.00           N  
HETATM   37  O   UNL     1       4.288   2.373  -3.075  1.00  0.00           O  
HETATM   38  O   UNL     1       2.594   0.842  -4.201  1.00  0.00           O  
HETATM   39  O   UNL     1       2.850   0.132  -0.740  1.00  0.00           O  
HETATM   40 CL   UNL     1      -9.279   1.387  -1.158  1.00  0.00          Cl  
HETATM   41 CL   UNL     1      -8.113   2.328   1.575  1.00  0.00          Cl  
HETATM   42  H1  UNL     1       0.171  -6.211   1.596  1.00  0.00           H  
HETATM   43  H2  UNL     1       0.596  -4.719   2.197  1.00  0.00           H  
HETATM   44  HXT UNL     1       4.578  -6.365   0.663  1.00  0.00           H  
HETATM   45  H   UNL     1       6.083   5.666   0.477  1.00  0.00           H  
HETATM   46  H   UNL     1       5.002  -0.754   0.530  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.089  -1.697  -2.229  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.484  -0.110  -1.697  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.763  -2.220   0.099  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.158  -0.633   0.631  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.769   0.489  -0.884  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.374  -1.099  -1.416  1.00  0.00           H  
HETATM   53  HA  UNL     1       1.220  -5.753  -0.493  1.00  0.00           H  
HETATM   54  H   UNL     1       1.858  -3.110   0.891  1.00  0.00           H  
HETATM   55  H   UNL     1       2.578  -3.639  -0.649  1.00  0.00           H  
HETATM   56  H   UNL     1       0.371  -3.731  -1.700  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.418  -3.350  -0.150  1.00  0.00           H  
HETATM   58  H   UNL     1       3.076   2.204  -0.904  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.980  -1.614   0.965  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.428  -0.194   2.155  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.061   1.265   1.348  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.064   2.298   2.212  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.239   1.262   3.053  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.191  -1.162  -1.642  1.00  0.00           H  
HETATM   65  H   UNL     1       5.209   0.646  -2.375  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.396  -0.368  -2.385  1.00  0.00           H  
HETATM   67  H   UNL     1       3.671  -0.743  -3.398  1.00  0.00           H  
HETATM   68  H   UNL     1       1.312   0.611  -2.076  1.00  0.00           H  
HETATM   69  H   UNL     1       2.483  -2.211  -1.917  1.00  0.00           H  
HETATM   70  H   UNL     1       1.206  -1.704  -3.049  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.691  -0.488   3.069  1.00  0.00           H  
HETATM   72  H   UNL     1       8.788   3.263   3.253  1.00  0.00           H  
HETATM   73  H   UNL     1       8.316   1.659   3.088  1.00  0.00           H  
HETATM   74  H   UNL     1       4.627   2.318  -3.979  1.00  0.00           H  
HETATM   75  H   UNL     1       3.219   1.090  -4.896  1.00  0.00           H  
CONECT    1   14    5    5    3                                       
CONECT    2   14   42   43                                            
CONECT    3    1   44                                                 
CONECT    4    9    9    6                                            
CONECT    5    1    1                                                 
CONECT    6    4   33   33   45                                       
CONECT    7    8    8   33   36                                       
CONECT    8    9   35    7    7                                       
CONECT    9   34    4    4    8                                       
CONECT   10   35   35   36   46                                       
CONECT   11   12   17   47   48                                       
CONECT   12   11   13   49   50                                       
CONECT   13   12   19   51   52                                       
CONECT   14   15    2    1   53                                       
CONECT   15   16   14   54   55                                       
CONECT   16   17   15   56   57                                       
CONECT   17   31   11   16                                            
CONECT   18   36   39   25   58                                       
CONECT   19   20   13   23   59                                       
CONECT   20   32   19   60   61                                       
CONECT   21   32   22   62   63                                       
CONECT   22   21   23   23   28                                       
CONECT   23   19   22   22   24                                       
CONECT   24   23   26   26   64                                       
CONECT   25   18   37   29   65                                       
CONECT   26   24   24   27   66                                       
CONECT   27   28   28   26   40                                       
CONECT   28   22   41   27   27                                       
CONECT   29   25   30   38   67                                       
CONECT   30   39   29   31   68                                       
CONECT   31   30   17   69   70                                       
CONECT   32   20   21   71                                            
CONECT   33    6    6    7                                            
CONECT   34    9   72   73                                            
CONECT   35    8   10   10                                            
CONECT   36   10    7   18                                            
CONECT   37   25   74                                                 
CONECT   38   29   75                                                 
CONECT   39   18   30                                                 
CONECT   40   27                                                      
CONECT   41   28                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    6                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   31                                                      
CONECT   70   31                                                      
CONECT   71   32                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   37                                                      
CONECT   75   38                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
