COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.033  -0.085   0.498  1.00  0.00           N  
HETATM    2  N   UNL     1       1.138  -1.963  -1.523  1.00  0.00           N  
HETATM    3  C   UNL     1      -7.978   1.435   2.169  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.723   1.048   1.382  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.891  -0.514  -0.186  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.972  -1.578  -1.074  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.845  -2.002  -1.750  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.548  -0.300  -0.651  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.035  -2.092  -2.398  1.00  0.00           C  
HETATM   10  C   UNL     1       3.541  -1.583  -1.426  1.00  0.00           C  
HETATM   11  C   UNL     1       4.287   1.971  -0.441  1.00  0.00           C  
HETATM   12  C   UNL     1       5.328   4.139  -0.102  1.00  0.00           C  
HETATM   13  C   UNL     1       6.470   4.914   0.156  1.00  0.00           C  
HETATM   14  C   UNL     1       7.674   4.300   0.327  1.00  0.00           C  
HETATM   15  C   UNL     1       6.704   2.130   0.000  1.00  0.00           C  
HETATM   16  C   UNL     1       1.105  -2.962  -0.450  1.00  0.00           C  
HETATM   17  C   UNL     1       2.359  -3.480   1.633  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.199  -1.423  -0.456  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.280  -1.745  -1.622  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.485  -1.793  -2.225  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.629  -1.363  -1.540  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.676   0.127   0.020  1.00  0.00           C  
HETATM   23  C   UNL     1      -8.109   0.262  -0.441  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.363   0.650   0.346  1.00  0.00           C  
HETATM   25  N   UNL     1      -9.054   1.782   1.230  1.00  0.00           N  
HETATM   26  C   UNL     1     -10.253   2.233   1.948  1.00  0.00           C  
HETATM   27  C   UNL     1     -11.255   2.818   0.951  1.00  0.00           C  
HETATM   28  C   UNL     1       2.360  -2.886   0.380  1.00  0.00           C  
HETATM   29  C   UNL     1       3.495  -2.247  -0.074  1.00  0.00           C  
HETATM   30  C   UNL     1       4.629  -2.207   0.722  1.00  0.00           C  
HETATM   31  C   UNL     1       4.628  -2.800   1.970  1.00  0.00           C  
HETATM   32 CL   UNL     1       6.051  -2.745   2.962  1.00  0.00          Cl  
HETATM   33  C   UNL     1       3.488  -3.438   2.427  1.00  0.00           C  
HETATM   34  C   UNL     1       2.386  -2.083  -2.293  1.00  0.00           C  
HETATM   35  C   UNL     1       3.426  -0.090  -1.254  1.00  0.00           C  
HETATM   36  O   UNL     1       2.505   0.510  -1.767  1.00  0.00           O  
HETATM   37  N   UNL     1       4.345   0.578  -0.529  1.00  0.00           N  
HETATM   38  C   UNL     1       5.450   2.727  -0.181  1.00  0.00           C  
HETATM   39  C   UNL     1       7.791   2.913   0.249  1.00  0.00           C  
HETATM   40  C   UNL     1       4.063   4.718  -0.286  1.00  0.00           C  
HETATM   41  N   UNL     1       3.020   3.960  -0.532  1.00  0.00           N  
HETATM   42  C   UNL     1       3.093   2.640  -0.612  1.00  0.00           C  
HETATM   43  H   UNL     1      -8.292   0.595   2.788  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.758   2.293   2.804  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.933   0.762   2.076  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.393   1.896   0.783  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.917  -2.075  -1.237  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.908  -2.829  -2.440  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.603   0.199  -0.491  1.00  0.00           H  
HETATM   50  H   UNL     1       0.067  -1.413  -3.244  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.107  -3.117  -2.761  1.00  0.00           H  
HETATM   52  H   UNL     1       4.488  -1.819  -1.912  1.00  0.00           H  
HETATM   53  H   UNL     1       6.395   5.989   0.219  1.00  0.00           H  
HETATM   54  H   UNL     1       8.552   4.897   0.525  1.00  0.00           H  
HETATM   55  H   UNL     1       6.809   1.056  -0.057  1.00  0.00           H  
HETATM   56  H   UNL     1       0.241  -2.778   0.188  1.00  0.00           H  
HETATM   57  H   UNL     1       1.023  -3.957  -0.887  1.00  0.00           H  
HETATM   58  H   UNL     1       1.470  -3.978   1.991  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.559  -2.126  -3.134  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.613   0.955   0.711  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.794   1.102  -1.060  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.329  -0.596  -1.076  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.154   0.936  -0.347  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.694  -0.199   0.945  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.707   1.387   2.465  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.976   2.997   2.675  1.00  0.00           H  
HETATM   67  H   UNL     1     -12.145   3.152   1.483  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.802   3.664   0.434  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.532   2.054   0.224  1.00  0.00           H  
HETATM   70  H   UNL     1       5.518  -1.709   0.365  1.00  0.00           H  
HETATM   71  H   UNL     1       3.482  -3.902   3.402  1.00  0.00           H  
HETATM   72  H   UNL     1       2.553  -3.127  -2.559  1.00  0.00           H  
HETATM   73  H   UNL     1       2.318  -1.478  -3.197  1.00  0.00           H  
HETATM   74  H   UNL     1       5.047   0.092  -0.069  1.00  0.00           H  
HETATM   75  H   UNL     1       8.758   2.453   0.389  1.00  0.00           H  
HETATM   76  H   UNL     1       3.948   5.790  -0.231  1.00  0.00           H  
HETATM   77  H   UNL     1       2.196   2.073  -0.816  1.00  0.00           H  
CONECT    1    5    4   23                                            
CONECT    2   34    9   16                                            
CONECT    3    4   25   43   44                                       
CONECT    4    1    3   45   46                                       
CONECT    5   22   22    6    1                                       
CONECT    6    7    7    5   47                                       
CONECT    7   21    6    6   48                                       
CONECT    8   21   21   22   49                                       
CONECT    9   19    2   50   51                                       
CONECT   10   34   35   29   52                                       
CONECT   11   38   38   42   37                                       
CONECT   12   13   40   40   38                                       
CONECT   13   14   14   12   53                                       
CONECT   14   13   13   39   54                                       
CONECT   15   39   39   38   55                                       
CONECT   16    2   28   56   57                                       
CONECT   17   28   28   33   58                                       
CONECT   18   19   19                                                 
CONECT   19   18   18    9   20                                       
CONECT   20   19   21   59                                            
CONECT   21   20    8    8    7                                       
CONECT   22    8    5    5   60                                       
CONECT   23    1   24   61   62                                       
CONECT   24   23   25   63   64                                       
CONECT   25    3   24   26                                            
CONECT   26   25   27   65   66                                       
CONECT   27   26   67   68   69                                       
CONECT   28   29   16   17   17                                       
CONECT   29   10   30   30   28                                       
CONECT   30   29   29   31   70                                       
CONECT   31   30   32   33   33                                       
CONECT   32   31                                                      
CONECT   33   31   31   17   71                                       
CONECT   34   10    2   72   73                                       
CONECT   35   37   10   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   11   35   74                                            
CONECT   38   12   15   11   11                                       
CONECT   39   14   15   15   75                                       
CONECT   40   12   12   41   76                                       
CONECT   41   40   42   42                                            
CONECT   42   41   41   11   77                                       
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   20                                                      
CONECT   60   22                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   30                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   34                                                      
CONECT   74   37                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   42                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
