COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.484   0.607   2.003  1.00  0.00           C  
HETATM    2  C   UNL     1       5.283  -0.619   1.398  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.175  -5.344   1.089  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.798  -5.266   1.045  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.188  -4.020   0.970  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.552  -2.249   1.452  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.384  -0.968   1.546  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.048  -0.033  -0.343  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.255  -1.341  -0.383  1.00  0.00           C  
HETATM   10  C   UNL     1       3.886  -1.163   1.243  1.00  0.00           C  
HETATM   11  C   UNL     1       4.268  -2.169  -1.028  1.00  0.00           C  
HETATM   12  C   UNL     1       2.695  -1.246  -2.194  1.00  0.00           C  
HETATM   13  C   UNL     1       2.584  -0.763  -0.898  1.00  0.00           C  
HETATM   14  C   UNL     1       1.589   0.194  -0.394  1.00  0.00           C  
HETATM   15  C   UNL     1       0.349  -0.106   0.153  1.00  0.00           C  
HETATM   16  C   UNL     1       0.522   2.148   0.203  1.00  0.00           C  
HETATM   17  C   UNL     1       1.713   1.658  -0.361  1.00  0.00           C  
HETATM   18  C   UNL     1       2.715   2.547  -0.757  1.00  0.00           C  
HETATM   19  C   UNL     1       2.534   3.891  -0.594  1.00  0.00           C  
HETATM   20  C   UNL     1       1.360   4.382  -0.038  1.00  0.00           C  
HETATM   21  C   UNL     1       6.363  -1.347   0.935  1.00  0.00           C  
HETATM   22  C   UNL     1       7.645  -0.850   1.077  1.00  0.00           C  
HETATM   23  C   UNL     1       7.847   0.378   1.682  1.00  0.00           C  
HETATM   24  C   UNL     1       6.765   1.106   2.145  1.00  0.00           C  
HETATM   25 CL   UNL     1       9.456   1.004   1.861  1.00  0.00          Cl  
HETATM   26  N   UNL     1       3.595  -1.363  -0.179  1.00  0.00           N  
HETATM   27  N   UNL     1       3.737  -2.096  -2.217  1.00  0.00           N  
HETATM   28  N   UNL     1      -0.280   1.072   0.509  1.00  0.00           N  
HETATM   29  C   UNL     1       0.358   3.522   0.360  1.00  0.00           C  
HETATM   30 CL   UNL     1       1.151   6.094   0.160  1.00  0.00          Cl  
HETATM   31  C   UNL     1      -0.204  -1.450   0.322  1.00  0.00           C  
HETATM   32  O   UNL     1       0.440  -2.422  -0.031  1.00  0.00           O  
HETATM   33  N   UNL     1      -1.426  -1.613   0.867  1.00  0.00           N  
HETATM   34  C   UNL     1      -1.994  -2.890   0.943  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.382  -3.047   0.991  1.00  0.00           C  
HETATM   36  N   UNL     1      -3.919  -4.254   1.061  1.00  0.00           N  
HETATM   37  N   UNL     1      -4.206  -1.925   0.964  1.00  0.00           N  
HETATM   38  C   UNL     1      -6.465  -0.316   0.163  1.00  0.00           C  
HETATM   39  N   UNL     1      -7.211   0.942   0.258  1.00  0.00           N  
HETATM   40  C   UNL     1      -8.433   1.089  -0.528  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.295   2.214   0.052  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.399   3.438   0.285  1.00  0.00           C  
HETATM   43  O   UNL     1      -7.375   3.072   1.251  1.00  0.00           O  
HETATM   44  C   UNL     1      -6.746   1.901   1.065  1.00  0.00           C  
HETATM   45  O   UNL     1      -5.698   1.707   1.650  1.00  0.00           O  
HETATM   46  C   UNL     1       1.828  -0.890  -3.340  1.00  0.00           C  
HETATM   47  C   UNL     1       2.368  -0.797  -4.624  1.00  0.00           C  
HETATM   48  C   UNL     1       1.555  -0.465  -5.688  1.00  0.00           C  
HETATM   49  C   UNL     1       0.207  -0.224  -5.484  1.00  0.00           C  
HETATM   50  C   UNL     1      -0.333  -0.314  -4.214  1.00  0.00           C  
HETATM   51  C   UNL     1       0.468  -0.651  -3.142  1.00  0.00           C  
HETATM   52  C   UNL     1       3.774  -2.499   1.979  1.00  0.00           C  
HETATM   53  H   UNL     1       4.640   1.178   2.361  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.651  -6.312   1.143  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.199  -6.165   1.069  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.112  -3.933   0.936  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.480  -2.708   2.438  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.032  -2.944   0.762  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.388  -1.211   1.894  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.912  -0.278   2.246  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.556   0.671   0.327  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.098   0.393  -1.346  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.741  -2.040  -1.064  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.241  -1.141  -0.729  1.00  0.00           H  
HETATM   65  H   UNL     1       3.172  -0.455   1.663  1.00  0.00           H  
HETATM   66  H   UNL     1       5.120  -2.779  -0.763  1.00  0.00           H  
HETATM   67  H   UNL     1       3.630   2.172  -1.190  1.00  0.00           H  
HETATM   68  H   UNL     1       3.310   4.577  -0.901  1.00  0.00           H  
HETATM   69  H   UNL     1       6.206  -2.306   0.463  1.00  0.00           H  
HETATM   70  H   UNL     1       8.488  -1.419   0.715  1.00  0.00           H  
HETATM   71  H   UNL     1       6.922   2.065   2.618  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.160   1.132   0.913  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.551   3.913   0.792  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.911  -0.845   1.207  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.973  -0.989  -0.528  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.174   1.327  -1.560  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.995   0.155  -0.503  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.088   2.468  -0.651  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.730   1.892   0.998  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.930   3.735  -0.654  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.995   4.262   0.675  1.00  0.00           H  
HETATM   82  H   UNL     1       3.419  -0.984  -4.784  1.00  0.00           H  
HETATM   83  H   UNL     1       1.971  -0.393  -6.682  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.425   0.037  -6.320  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.386  -0.129  -4.062  1.00  0.00           H  
HETATM   86  H   UNL     1       0.045  -0.721  -2.151  1.00  0.00           H  
HETATM   87  H   UNL     1       4.488  -3.207   1.558  1.00  0.00           H  
HETATM   88  H   UNL     1       3.990  -2.350   3.037  1.00  0.00           H  
HETATM   89  H   UNL     1       2.763  -2.892   1.867  1.00  0.00           H  
CONECT    1    2    2   24   53                                       
CONECT    2   10    1    1   21                                       
CONECT    3    4    4   36   54                                       
CONECT    4    3    3    5   55                                       
CONECT    5    4   34   34   56                                       
CONECT    6    7   37   57   58                                       
CONECT    7    6   38   59   60                                       
CONECT    8   38    9   61   62                                       
CONECT    9   37    8   63   64                                       
CONECT   10   26    2   52   65                                       
CONECT   11   26   27   27   66                                       
CONECT   12   46   13   13   27                                       
CONECT   13   14   12   12   26                                       
CONECT   14   15   15   17   13                                       
CONECT   15   31   28   14   14                                       
CONECT   16   28   29   29   17                                       
CONECT   17   16   14   18   18                                       
CONECT   18   17   17   19   67                                       
CONECT   19   20   20   18   68                                       
CONECT   20   29   30   19   19                                       
CONECT   21    2   22   22   69                                       
CONECT   22   21   21   23   70                                       
CONECT   23   24   24   22   25                                       
CONECT   24    1   23   23   71                                       
CONECT   25   23                                                      
CONECT   26   13   10   11                                            
CONECT   27   12   11   11                                            
CONECT   28   15   16   72                                            
CONECT   29   16   16   20   73                                       
CONECT   30   20                                                      
CONECT   31   32   32   33   15                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   74                                            
CONECT   34    5    5   35   33                                       
CONECT   35   36   36   34   37                                       
CONECT   36    3   35   35                                            
CONECT   37    6   35    9                                            
CONECT   38    7   39    8   75                                       
CONECT   39   44   38   40                                            
CONECT   40   39   41   76   77                                       
CONECT   41   42   40   78   79                                       
CONECT   42   43   41   80   81                                       
CONECT   43   44   42                                                 
CONECT   44   45   45   43   39                                       
CONECT   45   44   44                                                 
CONECT   46   51   12   47   47                                       
CONECT   47   46   46   48   82                                       
CONECT   48   49   49   47   83                                       
CONECT   49   50   48   48   84                                       
CONECT   50   51   51   49   85                                       
CONECT   51   50   50   46   86                                       
CONECT   52   10   87   88   89                                       
CONECT   53    1                                                      
CONECT   54    3                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    6                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   33                                                      
CONECT   75   38                                                      
CONECT   76   40                                                      
CONECT   77   40                                                      
CONECT   78   41                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   42                                                      
CONECT   82   47                                                      
CONECT   83   48                                                      
CONECT   84   49                                                      
CONECT   85   50                                                      
CONECT   86   51                                                      
CONECT   87   52                                                      
CONECT   88   52                                                      
CONECT   89   52                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
