COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.614   0.343  -1.629  1.00  0.00           N  
HETATM    2  C   UNL     1       2.009  -0.403  -1.937  1.00  0.00           C  
HETATM    3  C   UNL     1       1.686   0.830  -1.393  1.00  0.00           C  
HETATM    4  C   UNL     1       0.346   1.179  -1.250  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.013   2.496  -0.670  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.328   2.952  -0.732  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.683   4.955   0.414  1.00  0.00           C  
HETATM    8  C   UNL     1       3.449  -0.815  -2.107  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.476  -2.084  -0.004  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.758  -3.212   1.250  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.213  -1.110   2.270  1.00  0.00           C  
HETATM   12  C   UNL     1       0.623   4.504   0.484  1.00  0.00           C  
HETATM   13  C   UNL     1       0.963   3.278  -0.056  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.401  -1.804  -1.675  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.524  -2.533  -2.051  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.336  -0.839  -2.150  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.381  -1.223  -0.412  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.617  -3.032   0.246  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.068  -0.912   1.275  1.00  0.00           C  
HETATM   20  C   UNL     1       0.982  -1.248  -2.320  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.388  -2.070   2.588  1.00  0.00           C  
HETATM   22  C   UNL     1       5.316  -1.951  -1.048  1.00  0.00           C  
HETATM   23  C   UNL     1       5.828  -2.129   0.398  1.00  0.00           C  
HETATM   24  C   UNL     1       4.924  -1.223   1.258  1.00  0.00           C  
HETATM   25  C   UNL     1       3.941  -0.573   0.260  1.00  0.00           C  
HETATM   26  C   UNL     1       7.943  -2.405   1.493  1.00  0.00           C  
HETATM   27  C   UNL     1       9.356  -1.884   1.510  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.657   4.179  -0.190  1.00  0.00           C  
HETATM   29  N   UNL     1       3.905  -1.510  -0.896  1.00  0.00           N1+
HETATM   30  N   UNL     1      -4.530  -2.650  -1.200  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.423  -1.382   0.387  1.00  0.00           N  
HETATM   32  N   UNL     1      -5.552  -2.224   0.859  1.00  0.00           N  
HETATM   33  N   UNL     1      -8.281  -1.895   1.638  1.00  0.00           N1+
HETATM   34  O   UNL     1      -1.347  -1.662  -2.523  1.00  0.00           O  
HETATM   35  O   UNL     1       7.190  -1.709   0.497  1.00  0.00           O  
HETATM   36  O   UNL     1       9.686  -1.007   0.748  1.00  0.00           O  
HETATM   37  O   UNL     1      10.250  -2.395   2.372  1.00  0.00           O  
HETATM   38 CL   UNL     1       1.838   5.480   1.249  1.00  0.00          Cl  
HETATM   39 CL   UNL     1      -3.294   4.752  -0.273  1.00  0.00          Cl  
HETATM   40  H   UNL     1       2.464   1.512  -1.084  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.089   2.348  -1.204  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.945   5.914   0.837  1.00  0.00           H  
HETATM   43  H   UNL     1       3.537  -1.483  -2.964  1.00  0.00           H  
HETATM   44  H   UNL     1       4.063   0.070  -2.271  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.554  -3.799   0.793  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.386  -3.730   2.134  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.844  -1.639   3.149  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.606  -0.138   2.570  1.00  0.00           H  
HETATM   49  H   UNL     1       1.982   2.927  -0.001  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.574  -2.997  -3.025  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.525  -0.650  -0.087  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.218  -4.008  -0.031  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.991  -2.525  -0.643  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.433  -0.371   0.403  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.269  -0.341   1.749  1.00  0.00           H  
HETATM   56  H   UNL     1       1.202  -2.216  -2.748  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.028  -2.594   3.473  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.776  -1.093   2.876  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.181  -2.652   2.118  1.00  0.00           H  
HETATM   60  H   UNL     1       5.898  -1.190  -1.566  1.00  0.00           H  
HETATM   61  H   UNL     1       5.363  -2.898  -1.587  1.00  0.00           H  
HETATM   62  H   UNL     1       5.730  -3.169   0.709  1.00  0.00           H  
HETATM   63  H   UNL     1       4.380  -1.818   1.992  1.00  0.00           H  
HETATM   64  H   UNL     1       5.519  -0.458   1.758  1.00  0.00           H  
HETATM   65  H   UNL     1       2.951  -0.483   0.706  1.00  0.00           H  
HETATM   66  H   UNL     1       4.308   0.403  -0.054  1.00  0.00           H  
HETATM   67  H   UNL     1       7.951  -3.471   1.263  1.00  0.00           H  
HETATM   68  H   UNL     1       7.485  -2.248   2.470  1.00  0.00           H  
HETATM   69  H   UNL     1       3.307  -2.297  -0.694  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.614  -1.411   0.818  1.00  0.00           H  
HETATM   71  H   UNL     1      11.144  -2.029   2.345  1.00  0.00           H  
CONECT    1   16   16    4                                            
CONECT    2   20   20    3    8                                       
CONECT    3    4    4    2   40                                       
CONECT    4    1    5    3    3                                       
CONECT    5   13    4    6    6                                       
CONECT    6    5    5   28   41                                       
CONECT    7   12   28   28   42                                       
CONECT    8    2   29   43   44                                       
CONECT    9   32   31   31   30                                       
CONECT   10   33   18   45   46                                       
CONECT   11   33   19   47   48                                       
CONECT   12   38   13   13    7                                       
CONECT   13   12   12    5   49                                       
CONECT   14   17   17   15   34                                       
CONECT   15   30   30   14   50                                       
CONECT   16   34    1    1   20                                       
CONECT   17   31   14   14   51                                       
CONECT   18   10   32   52   53                                       
CONECT   19   11   32   54   55                                       
CONECT   20   16    2    2   56                                       
CONECT   21   33   57   58   59                                       
CONECT   22   29   23   60   61                                       
CONECT   23   24   22   35   62                                       
CONECT   24   25   23   63   64                                       
CONECT   25   24   29   65   66                                       
CONECT   26   35   27   67   68                                       
CONECT   27   26   36   36   37                                       
CONECT   28    7    7    6   39                                       
CONECT   29   25    8   22   69                                       
CONECT   30    9   15   15                                            
CONECT   31    9    9   17                                            
CONECT   32   18   19    9                                            
CONECT   33   21   10   11   70                                       
CONECT   34   14   16                                                 
CONECT   35   23   26                                                 
CONECT   36   27   27                                                 
CONECT   37   27   71                                                 
CONECT   38   12                                                      
CONECT   39   28                                                      
CONECT   40    3                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    8                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   29                                                      
CONECT   70   33                                                      
CONECT   71   37                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
