COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.933   2.545   0.803  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.265   1.406  -0.183  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.112   0.439  -0.257  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.081  -0.322  -0.259  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.232  -1.003   0.435  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.200  -2.501   0.125  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.531  -0.416  -0.054  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.935  -3.119   0.724  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.433  -3.174   0.733  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.472   0.207   0.694  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.473   0.560  -0.240  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.764   1.283   0.049  1.00  0.00           C  
HETATM   13  C   UNL     1       2.216  -0.080  -0.759  1.00  0.00           C  
HETATM   14  C   UNL     1       3.508   0.661  -0.531  1.00  0.00           C  
HETATM   15  C   UNL     1       5.881   2.024  -0.112  1.00  0.00           C  
HETATM   16  C   UNL     1       5.689  -1.945   0.837  1.00  0.00           C  
HETATM   17  C   UNL     1       5.400  -3.421   1.120  1.00  0.00           C  
HETATM   18  C   UNL     1       4.858  -5.493   0.043  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.460   0.720   0.329  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.868   1.360   1.593  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.287   2.799   1.516  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.128   3.650   0.734  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.712  -0.712  -1.347  1.00  0.00           O  
HETATM   24  N   UNL     1      -7.060   0.136  -1.399  1.00  0.00           N  
HETATM   25  O   UNL     1      -5.981  -0.404  -1.317  1.00  0.00           O  
HETATM   26  N   UNL     1       1.094   0.860  -0.688  1.00  0.00           N  
HETATM   27  O   UNL     1      -0.268  -0.718   0.071  1.00  0.00           O  
HETATM   28  C   UNL     1       2.242  -0.738  -2.140  1.00  0.00           C  
HETATM   29  C   UNL     1       4.606  -0.004  -0.007  1.00  0.00           C  
HETATM   30  C   UNL     1       5.795   0.680   0.202  1.00  0.00           C  
HETATM   31  C   UNL     1       4.785   2.683  -0.641  1.00  0.00           C  
HETATM   32  C   UNL     1       3.600   2.003  -0.849  1.00  0.00           C  
HETATM   33 CL   UNL     1       7.368   2.882   0.148  1.00  0.00          Cl  
HETATM   34  O   UNL     1       4.518  -1.325   0.301  1.00  0.00           O  
HETATM   35  O   UNL     1       5.141  -4.100  -0.110  1.00  0.00           O  
HETATM   36  H   UNL     1      -0.174   2.227   1.518  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.606   3.436   0.267  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.467   1.818  -1.172  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.148  -0.852   1.511  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.201  -2.649  -0.955  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.889  -2.892   1.789  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.956  -4.199   0.582  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.058  -2.704   0.226  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.334  -2.734   0.307  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.410  -4.241   0.513  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.432  -3.026   1.813  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.460   0.393   1.758  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.606   2.358  -0.044  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.526   0.965  -0.662  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.092   1.050   1.062  1.00  0.00           H  
HETATM   51  H   UNL     1       2.096  -0.847   0.006  1.00  0.00           H  
HETATM   52  H   UNL     1       5.973  -1.446   1.763  1.00  0.00           H  
HETATM   53  H   UNL     1       6.504  -1.866   0.117  1.00  0.00           H  
HETATM   54  H   UNL     1       6.263  -3.873   1.610  1.00  0.00           H  
HETATM   55  H   UNL     1       4.529  -3.502   1.770  1.00  0.00           H  
HETATM   56  H   UNL     1       5.710  -5.987   0.511  1.00  0.00           H  
HETATM   57  H   UNL     1       3.976  -5.617   0.671  1.00  0.00           H  
HETATM   58  H   UNL     1       4.673  -5.936  -0.936  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.955   1.394   1.668  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.444   0.825   2.443  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.135   3.213   2.513  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.021   3.756   1.090  1.00  0.00           H  
HETATM   63  H   UNL     1       1.219   1.785  -0.950  1.00  0.00           H  
HETATM   64  H   UNL     1       2.361   0.029  -2.906  1.00  0.00           H  
HETATM   65  H   UNL     1       3.076  -1.438  -2.194  1.00  0.00           H  
HETATM   66  H   UNL     1       1.307  -1.274  -2.305  1.00  0.00           H  
HETATM   67  H   UNL     1       6.651   0.164   0.609  1.00  0.00           H  
HETATM   68  H   UNL     1       4.856   3.732  -0.890  1.00  0.00           H  
HETATM   69  H   UNL     1       2.746   2.520  -1.261  1.00  0.00           H  
CONECT    1   21    2   36   37                                       
CONECT    2   19    3    1   38                                       
CONECT    3    2   27   27   26                                       
CONECT    4    5   23   23   19                                       
CONECT    5    7    6    4   39                                       
CONECT    6    9    5    8   40                                       
CONECT    7   10   10   25    5                                       
CONECT    8    6   41   42   43                                       
CONECT    9    6   44   45   46                                       
CONECT   10   11    7    7   47                                       
CONECT   11   12   24   24   10                                       
CONECT   12   11   48   49   50                                       
CONECT   13   26   28   14   51                                       
CONECT   14   13   29   29   32                                       
CONECT   15   30   30   31   33                                       
CONECT   16   34   17   52   53                                       
CONECT   17   35   16   54   55                                       
CONECT   18   35   56   57   58                                       
CONECT   19    4   20    2                                            
CONECT   20   19   21   59   60                                       
CONECT   21   20   22    1   61                                       
CONECT   22   21   62                                                 
CONECT   23    4    4                                                 
CONECT   24   11   11   25                                            
CONECT   25   24    7                                                 
CONECT   26    3   13   63                                            
CONECT   27    3    3                                                 
CONECT   28   13   64   65   66                                       
CONECT   29   34   14   14   30                                       
CONECT   30   29   15   15   67                                       
CONECT   31   32   32   15   68                                       
CONECT   32   14   31   31   69                                       
CONECT   33   15                                                      
CONECT   34   29   16                                                 
CONECT   35   18   17                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46    9                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   18                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   26                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
