COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.834   0.711   1.764  1.00  0.00           C  
HETATM    2  C   UNL     1       9.624   0.898   0.906  1.00  0.00           C  
HETATM    3  C   UNL     1       9.344   0.809  -1.473  1.00  0.00           C  
HETATM    4  C   UNL     1       7.978   0.951  -1.316  1.00  0.00           C  
HETATM    5  C   UNL     1       7.433   1.067  -0.051  1.00  0.00           C  
HETATM    6  C   UNL     1       8.253   1.041   1.060  1.00  0.00           C  
HETATM    7  C   UNL     1       5.549   2.677  -0.146  1.00  0.00           C  
HETATM    8  C   UNL     1       4.001  -0.077  -0.574  1.00  0.00           C  
HETATM    9  C   UNL     1       3.290  -0.975  -1.554  1.00  0.00           C  
HETATM   10  C   UNL     1       1.621  -2.441  -0.189  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.075  -2.797   0.868  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.666  -0.873  -0.532  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.317  -1.216  -0.596  1.00  0.00           C  
HETATM   14  C   UNL     1       0.836  -0.590  -1.277  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.982  -1.307   0.273  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.642   0.292   0.355  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.012   3.826   1.052  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.290  -1.920   0.385  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.961  -2.304   0.318  1.00  0.00           C  
HETATM   20  O   UNL     1      10.433   0.866   1.998  1.00  0.00           O  
HETATM   21  C   UNL     1      10.169   0.782  -0.365  1.00  0.00           C  
HETATM   22  C   UNL     1       5.943   1.222   0.116  1.00  0.00           C  
HETATM   23  N   UNL     1       5.252   0.350  -0.837  1.00  0.00           N  
HETATM   24  O   UNL     1       3.448   0.260   0.451  1.00  0.00           O  
HETATM   25  N   UNL     1       1.955  -1.296  -1.042  1.00  0.00           N  
HETATM   26  C   UNL     1       0.138  -2.353   0.078  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.735  -3.133   0.802  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.545  -1.666   0.201  1.00  0.00           C  
HETATM   29  O   UNL     1       0.780   0.420  -1.952  1.00  0.00           O  
HETATM   30  N   UNL     1      -4.360  -0.031   0.291  1.00  0.00           N  
HETATM   31  N   UNL     1      -6.001   1.630   0.372  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.414   2.008   0.443  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.540   3.407   1.055  1.00  0.00           C  
HETATM   34  O   UNL     1      -9.514   3.789  -0.285  1.00  0.00           O  
HETATM   35  C   UNL     1      -9.466   2.496  -0.892  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.012   2.024  -0.967  1.00  0.00           C  
HETATM   37  N   UNL     1      -6.591  -0.631   0.404  1.00  0.00           N  
HETATM   38 CL   UNL     1      -4.521  -3.983   0.290  1.00  0.00          Cl  
HETATM   39  H   UNL     1      12.363   0.701   2.717  1.00  0.00           H  
HETATM   40  H   UNL     1      12.012  -0.228   1.240  1.00  0.00           H  
HETATM   41  H   UNL     1      12.195   1.541   1.156  1.00  0.00           H  
HETATM   42  H   UNL     1       9.767   0.718  -2.463  1.00  0.00           H  
HETATM   43  H   UNL     1       7.335   0.972  -2.184  1.00  0.00           H  
HETATM   44  H   UNL     1       7.827   1.131   2.049  1.00  0.00           H  
HETATM   45  H   UNL     1       6.064   3.326   0.563  1.00  0.00           H  
HETATM   46  H   UNL     1       5.831   2.953  -1.162  1.00  0.00           H  
HETATM   47  H   UNL     1       4.472   2.789  -0.025  1.00  0.00           H  
HETATM   48  H   UNL     1       3.198  -0.465  -2.513  1.00  0.00           H  
HETATM   49  H   UNL     1       3.860  -1.894  -1.684  1.00  0.00           H  
HETATM   50  H   UNL     1       1.853  -3.373  -0.704  1.00  0.00           H  
HETATM   51  H   UNL     1       2.174  -2.384   0.749  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.757  -3.411   1.436  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.029   0.003  -1.049  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.587   3.139   1.675  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.103   4.837   1.447  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.072  -2.664   0.421  1.00  0.00           H  
HETATM   57  H   UNL     1      11.236   0.671  -0.488  1.00  0.00           H  
HETATM   58  H   UNL     1       5.661   0.946   1.132  1.00  0.00           H  
HETATM   59  H   UNL     1       5.695   0.080  -1.656  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.373  -4.009   1.320  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.316   2.316   0.337  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.953   1.290   1.061  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.958   4.116   0.465  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.167   3.391   2.079  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.046   1.793  -0.295  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.883   2.550  -1.897  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.440   2.705  -1.597  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.976   1.020  -1.389  1.00  0.00           H  
CONECT    1   20   39   40   41                                       
CONECT    2   20    6    6   21                                       
CONECT    3   21   21    4   42                                       
CONECT    4    5    5    3   43                                       
CONECT    5    6   22    4    4                                       
CONECT    6    2    2    5   44                                       
CONECT    7   22   45   46   47                                       
CONECT    8    9   23   24   24                                       
CONECT    9   25    8   48   49                                       
CONECT   10   26   25   50   51                                       
CONECT   11   28   27   27   52                                       
CONECT   12   28   28   13   53                                       
CONECT   13   12   14   26   26                                       
CONECT   14   29   29   13   25                                       
CONECT   15   30   28   19   19                                       
CONECT   16   31   30   30   37                                       
CONECT   17   34   33   54   55                                       
CONECT   18   37   37   19   56                                       
CONECT   19   15   15   18   38                                       
CONECT   20    1    2                                                 
CONECT   21    2    3    3   57                                       
CONECT   22   23    7    5   58                                       
CONECT   23    8   22   59                                            
CONECT   24    8    8                                                 
CONECT   25   14   10    9                                            
CONECT   26   13   13   27   10                                       
CONECT   27   11   11   26   60                                       
CONECT   28   15   12   12   11                                       
CONECT   29   14   14                                                 
CONECT   30   16   16   15                                            
CONECT   31   32   16   61                                            
CONECT   32   36   33   31   62                                       
CONECT   33   17   32   63   64                                       
CONECT   34   35   17                                                 
CONECT   35   34   36   65   66                                       
CONECT   36   35   32   67   68                                       
CONECT   37   16   18   18                                            
CONECT   38   19                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   27                                                      
CONECT   61   31                                                      
CONECT   62   32                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
