COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.088  -0.286   0.116  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.641  -0.966  -1.665  1.00  0.00           C  
HETATM    3  C   UNL     1       4.871  -2.036   0.229  1.00  0.00           C  
HETATM    4  C   UNL     1       5.918  -1.012   0.424  1.00  0.00           C  
HETATM    5  C   UNL     1       7.096  -1.340   1.111  1.00  0.00           C  
HETATM    6  C   UNL     1       8.069  -0.404   1.298  1.00  0.00           C  
HETATM    7  C   UNL     1       5.734   0.270  -0.079  1.00  0.00           C  
HETATM    8  C   UNL     1       6.728   1.234   0.109  1.00  0.00           C  
HETATM    9  C   UNL     1       7.901   0.888   0.806  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.630  -0.248  -0.837  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.332  -0.659  -1.569  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.267  -1.210  -2.416  1.00  0.00           C  
HETATM   13  C   UNL     1       1.060  -0.956  -1.680  1.00  0.00           C  
HETATM   14  C   UNL     1       0.772   0.303  -0.826  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.749   0.277  -0.603  1.00  0.00           C  
HETATM   16  C   UNL     1       1.194  -1.728  -0.361  1.00  0.00           C  
HETATM   17  C   UNL     1       1.562  -0.379   0.304  1.00  0.00           C  
HETATM   18  C   UNL     1       2.477  -2.570  -0.259  1.00  0.00           C  
HETATM   19  N   UNL     1       3.589  -1.663   0.045  1.00  0.00           N  
HETATM   20  O   UNL     1      -3.007  -1.834  -2.434  1.00  0.00           O  
HETATM   21  O   UNL     1       5.166  -3.216   0.235  1.00  0.00           O  
HETATM   22  N   UNL     1       8.675   2.021   0.832  1.00  0.00           N  
HETATM   23  N   UNL     1       7.954   3.018   0.160  1.00  0.00           N  
HETATM   24  N   UNL     1       6.836   2.534  -0.254  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.520   1.129  -0.666  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.678  -0.957  -0.232  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.599  -0.302   0.537  1.00  0.00           C  
HETATM   28  O   UNL     1      -6.613  -0.994   1.121  1.00  0.00           O  
HETATM   29  C   UNL     1      -6.610  -2.413   0.954  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.497   1.085   0.721  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.451   1.804   0.113  1.00  0.00           C  
HETATM   32  N   UNL     1      -4.609   3.127   0.463  1.00  0.00           N  
HETATM   33  C   UNL     1      -5.707   3.266   1.264  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.287   2.069   1.459  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.868  -3.063   2.123  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.052  -2.924   0.918  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.730   4.220   0.041  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.174   4.729  -1.332  1.00  0.00           C  
HETATM   39  H   UNL     1       3.319   0.244  -0.808  1.00  0.00           H  
HETATM   40  H   UNL     1       3.537   0.231   0.964  1.00  0.00           H  
HETATM   41  H   UNL     1       7.232  -2.340   1.494  1.00  0.00           H  
HETATM   42  H   UNL     1       8.973  -0.665   1.828  1.00  0.00           H  
HETATM   43  H   UNL     1       4.828   0.520  -0.612  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.418  -2.280  -2.554  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.260  -0.706  -3.382  1.00  0.00           H  
HETATM   46  H   UNL     1       1.942  -0.921  -2.319  1.00  0.00           H  
HETATM   47  H   UNL     1       1.167   1.247  -1.201  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.162   1.274  -0.761  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.968  -0.056   0.411  1.00  0.00           H  
HETATM   50  H   UNL     1       0.287  -2.213  -0.001  1.00  0.00           H  
HETATM   51  H   UNL     1       1.205  -0.202   1.319  1.00  0.00           H  
HETATM   52  H   UNL     1       2.374  -3.306   0.538  1.00  0.00           H  
HETATM   53  H   UNL     1       2.662  -3.076  -1.207  1.00  0.00           H  
HETATM   54  H   UNL     1       9.552   2.115   1.237  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.714   1.671  -1.137  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.757  -2.024  -0.374  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.111  -2.668   0.020  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.057   4.200   1.680  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.173   1.873   2.045  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.867  -4.146   1.996  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.841  -2.699   2.149  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.368  -2.808   3.058  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.581  -2.461   0.085  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.050  -4.007   0.790  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.552  -2.669   1.852  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.788   5.033   0.766  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.704   3.859  -0.019  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.116   3.917  -2.056  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.200   5.091  -1.271  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.520   5.543  -1.646  1.00  0.00           H  
CONECT    1   17   19   39   40                                       
CONECT    2   11   20   20   10                                       
CONECT    3   19    4   21   21                                       
CONECT    4    3    5    5    7                                       
CONECT    5    4    4    6   41                                       
CONECT    6    5    9    9   42                                       
CONECT    7    4    8    8   43                                       
CONECT    8    7    7    9   24                                       
CONECT    9    6    6    8   22                                       
CONECT   10    2   25   25   26                                       
CONECT   11   12   15    2                                            
CONECT   12   11   13   44   45                                       
CONECT   13   12   14   16   46                                       
CONECT   14   13   15   17   47                                       
CONECT   15   11   14   48   49                                       
CONECT   16   13   17   18   50                                       
CONECT   17   14   16    1   51                                       
CONECT   18   16   19   52   53                                       
CONECT   19   18    1    3                                            
CONECT   20    2    2                                                 
CONECT   21    3    3                                                 
CONECT   22    9   23   54                                            
CONECT   23   22   24   24                                            
CONECT   24    8   23   23                                            
CONECT   25   10   10   31   55                                       
CONECT   26   10   27   27   56                                       
CONECT   27   26   26   30   28                                       
CONECT   28   27   29                                                 
CONECT   29   28   35   36   57                                       
CONECT   30   27   31   31   34                                       
CONECT   31   25   30   30   32                                       
CONECT   32   31   33   37                                            
CONECT   33   32   34   34   58                                       
CONECT   34   30   33   33   59                                       
CONECT   35   29   60   61   62                                       
CONECT   36   29   63   64   65                                       
CONECT   37   32   38   66   67                                       
CONECT   38   37   68   69   70                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   22                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   29                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
