COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.103  -1.735   1.688  1.00  0.00           O  
HETATM    2  C   UNL     1       2.071  -1.092   1.331  1.00  0.00           C  
HETATM    3  C   UNL     1       3.247  -1.755   0.725  1.00  0.00           C  
HETATM    4  C   UNL     1       3.466  -3.121   0.925  1.00  0.00           C  
HETATM    5  N   UNL     1       2.106   0.267   1.472  1.00  0.00           N  
HETATM    6  C   UNL     1       0.816   0.925   1.784  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.276   0.377   0.863  1.00  0.00           C  
HETATM    8  O   UNL     1       0.073   0.637  -0.498  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.606   1.059   1.187  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.673   0.467   0.369  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.968   1.098   0.655  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.885   2.594   0.344  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.035   0.466  -0.201  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.172  -0.083   0.247  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.858  -0.537  -0.820  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.196  -1.229  -0.795  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.093  -2.510   0.034  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.239  -0.300  -0.170  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.617  -1.578  -2.224  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.125  -0.256  -1.910  1.00  0.00           C  
HETATM   21  N   UNL     1      -5.007   0.368  -1.500  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.317   0.903   2.131  1.00  0.00           C  
HETATM   23  C   UNL     1       0.970   2.431   1.559  1.00  0.00           C  
HETATM   24  O   UNL     1       1.591   2.674   0.294  1.00  0.00           O  
HETATM   25  C   UNL     1       2.509   3.771   0.300  1.00  0.00           C  
HETATM   26  C   UNL     1       3.593   3.517  -0.718  1.00  0.00           C  
HETATM   27  C   UNL     1       4.807   3.234  -0.317  1.00  0.00           C  
HETATM   28  C   UNL     1       5.897   2.948  -1.317  1.00  0.00           C  
HETATM   29  C   UNL     1       6.513   1.579  -1.011  1.00  0.00           C  
HETATM   30  C   UNL     1       5.837   0.517  -1.875  1.00  0.00           C  
HETATM   31  C   UNL     1       6.217  -0.862  -1.398  1.00  0.00           C  
HETATM   32  O   UNL     1       7.292  -1.335  -1.699  1.00  0.00           O  
HETATM   33  C   UNL     1       5.279  -1.632  -0.565  1.00  0.00           C  
HETATM   34  C   UNL     1       4.152  -1.008  -0.025  1.00  0.00           C  
HETATM   35  C   UNL     1       5.506  -2.992  -0.322  1.00  0.00           C  
HETATM   36  C   UNL     1       4.595  -3.723   0.404  1.00  0.00           C  
HETATM   37  C   UNL     1       4.840  -5.189   0.654  1.00  0.00           C  
HETATM   38  H   UNL     1       2.754  -3.705   1.488  1.00  0.00           H  
HETATM   39  H   UNL     1       2.928   0.772   1.373  1.00  0.00           H  
HETATM   40  H   UNL     1       0.551   0.735   2.824  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.373  -0.698   1.014  1.00  0.00           H  
HETATM   42  H   UNL     1       0.176   1.576  -0.705  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.838   0.919   2.243  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.531   2.124   0.970  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.720  -0.532   0.505  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.637   2.734  -0.708  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.846   3.063   0.556  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.113   3.052   0.963  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.794  -2.262   1.052  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.061  -3.011   0.052  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.350  -3.172  -0.412  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.313   0.613  -0.760  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.207  -0.800  -0.152  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.940  -0.051   0.848  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.874  -2.240  -2.670  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.585  -2.078  -2.206  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.690  -0.665  -2.815  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.388  -0.487  -2.932  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.545   1.360   2.751  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.278   1.372   2.343  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.376  -0.163   2.353  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.013   2.901   1.576  1.00  0.00           H  
HETATM   63  H   UNL     1       1.586   2.854   2.352  1.00  0.00           H  
HETATM   64  H   UNL     1       1.980   4.689   0.046  1.00  0.00           H  
HETATM   65  H   UNL     1       2.954   3.868   1.290  1.00  0.00           H  
HETATM   66  H   UNL     1       3.363   3.567  -1.771  1.00  0.00           H  
HETATM   67  H   UNL     1       5.027   3.192   0.741  1.00  0.00           H  
HETATM   68  H   UNL     1       5.476   2.941  -2.323  1.00  0.00           H  
HETATM   69  H   UNL     1       6.666   3.718  -1.249  1.00  0.00           H  
HETATM   70  H   UNL     1       7.580   1.602  -1.232  1.00  0.00           H  
HETATM   71  H   UNL     1       6.364   1.340   0.042  1.00  0.00           H  
HETATM   72  H   UNL     1       4.755   0.636  -1.812  1.00  0.00           H  
HETATM   73  H   UNL     1       6.154   0.638  -2.911  1.00  0.00           H  
HETATM   74  H   UNL     1       3.986   0.048  -0.181  1.00  0.00           H  
HETATM   75  H   UNL     1       6.390  -3.470  -0.717  1.00  0.00           H  
HETATM   76  H   UNL     1       5.403  -5.310   1.579  1.00  0.00           H  
HETATM   77  H   UNL     1       3.886  -5.708   0.738  1.00  0.00           H  
HETATM   78  H   UNL     1       5.410  -5.608  -0.176  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    5                                       
CONECT    3    4    4   34    2                                       
CONECT    4   36    3    3   38                                       
CONECT    5    2    6   39                                            
CONECT    6    5    7   23   40                                       
CONECT    7    9    6    8   41                                       
CONECT    8    7   42                                                 
CONECT    9   10    7   43   44                                       
CONECT   10   11    9   45                                            
CONECT   11   22   12   10   13                                       
CONECT   12   11   46   47   48                                       
CONECT   13   11   21   21   14                                       
CONECT   14   13   15                                                 
CONECT   15   14   20   20   16                                       
CONECT   16   15   17   19   18                                       
CONECT   17   16   49   50   51                                       
CONECT   18   16   52   53   54                                       
CONECT   19   16   55   56   57                                       
CONECT   20   21   15   15   58                                       
CONECT   21   13   13   20                                            
CONECT   22   11   59   60   61                                       
CONECT   23    6   24   62   63                                       
CONECT   24   23   25                                                 
CONECT   25   26   24   64   65                                       
CONECT   26   27   27   25   66                                       
CONECT   27   28   26   26   67                                       
CONECT   28   29   27   68   69                                       
CONECT   29   30   28   70   71                                       
CONECT   30   31   29   72   73                                       
CONECT   31   32   32   33   30                                       
CONECT   32   31   31                                                 
CONECT   33   35   31   34   34                                       
CONECT   34   33   33    3   74                                       
CONECT   35   36   36   33   75                                       
CONECT   36   37   35   35    4                                       
CONECT   37   36   76   77   78                                       
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   27                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   37                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
