COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.781   5.960  -2.875  1.00  0.00           N  
HETATM    2  C   UNL     1       4.498   5.319  -1.982  1.00  0.00           C  
HETATM    3  C   UNL     1       4.142   4.510  -0.855  1.00  0.00           C  
HETATM    4  C   UNL     1       4.488   4.914   0.436  1.00  0.00           C  
HETATM    5  C   UNL     1       4.141   4.130   1.517  1.00  0.00           C  
HETATM    6  C   UNL     1       3.453   2.946   1.324  1.00  0.00           C  
HETATM    7  C   UNL     1       3.441   3.316  -1.042  1.00  0.00           C  
HETATM    8  C   UNL     1       3.107   2.539   0.047  1.00  0.00           C  
HETATM    9  C   UNL     1       2.352   1.250  -0.153  1.00  0.00           C  
HETATM   10  O   UNL     1       3.279   0.178  -0.333  1.00  0.00           O  
HETATM   11  C   UNL     1       2.758  -1.062  -0.527  1.00  0.00           C  
HETATM   12  C   UNL     1       3.601  -2.149  -0.708  1.00  0.00           C  
HETATM   13  C   UNL     1       5.095  -1.954  -0.690  1.00  0.00           C  
HETATM   14  N   UNL     1       5.562  -1.871   0.701  1.00  0.00           N  
HETATM   15  CA  UNL     1       7.017  -1.681   0.757  1.00  0.00           C  
HETATM   16  C   UNL     1       7.337  -0.213   0.631  1.00  0.00           C  
HETATM   17  O   UNL     1       6.444   0.591   0.506  1.00  0.00           O  
HETATM   18  O   UNL     1       8.614   0.200   0.656  1.00  0.00           O  
HETATM   19  C   UNL     1       7.548  -2.205   2.093  1.00  0.00           C  
HETATM   20  O   UNL     1       7.022  -1.413   3.159  1.00  0.00           O  
HETATM   21  C   UNL     1       1.384  -1.243  -0.538  1.00  0.00           C  
HETATM   22  C   UNL     1       0.855  -2.511  -0.730  1.00  0.00           C  
HETATM   23  C   UNL     1       1.702  -3.594  -0.911  1.00  0.00           C  
HETATM   24  C   UNL     1       1.129  -4.972  -1.120  1.00  0.00           C  
HETATM   25  C   UNL     1       3.072  -3.410  -0.905  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.492  -2.692  -0.736  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.303  -1.532  -0.544  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.758  -1.924  -0.581  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.111  -3.248  -0.774  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.444  -3.616  -0.804  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.429  -2.664  -0.641  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.080  -1.329  -0.446  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.735  -0.964  -0.417  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.349   0.477  -0.201  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.135  -0.301  -0.270  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.176   0.807  -1.114  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.158   1.763  -0.948  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.105   1.625   0.056  1.00  0.00           C  
HETATM   39  O   UNL     1      -9.063   2.582   0.204  1.00  0.00           O  
HETATM   40  C   UNL     1     -10.214   2.226   0.977  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.737   1.532   2.260  1.00  0.00           C  
HETATM   42  O   UNL     1      -8.994   0.366   1.888  1.00  0.00           O  
HETATM   43  C   UNL     1      -8.070   0.519   0.900  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.089  -0.445   0.734  1.00  0.00           C  
HETATM   45  H   UNL     1       5.025   5.838   0.588  1.00  0.00           H  
HETATM   46  H   UNL     1       4.407   4.442   2.516  1.00  0.00           H  
HETATM   47  H   UNL     1       3.184   2.336   2.174  1.00  0.00           H  
HETATM   48  H   UNL     1       3.171   2.998  -2.038  1.00  0.00           H  
HETATM   49  H   UNL     1       1.733   1.052   0.723  1.00  0.00           H  
HETATM   50  H   UNL     1       1.717   1.334  -1.035  1.00  0.00           H  
HETATM   51  H   UNL     1       5.578  -2.797  -1.185  1.00  0.00           H  
HETATM   52  H   UNL     1       5.348  -1.032  -1.214  1.00  0.00           H  
HETATM   53  H   UNL     1       5.081  -1.138   1.200  1.00  0.00           H  
HETATM   54  HA  UNL     1       7.487  -2.227  -0.060  1.00  0.00           H  
HETATM   55  H   UNL     1       8.769   1.150   0.572  1.00  0.00           H  
HETATM   56  H1  UNL     1       7.240  -3.242   2.225  1.00  0.00           H  
HETATM   57  H2  UNL     1       8.637  -2.145   2.100  1.00  0.00           H  
HETATM   58  H   UNL     1       7.317  -1.689   4.037  1.00  0.00           H  
HETATM   59  H   UNL     1       0.726  -0.399  -0.396  1.00  0.00           H  
HETATM   60  H   UNL     1       0.978  -5.145  -2.186  1.00  0.00           H  
HETATM   61  H   UNL     1       1.820  -5.717  -0.726  1.00  0.00           H  
HETATM   62  H   UNL     1       0.174  -5.051  -0.601  1.00  0.00           H  
HETATM   63  H   UNL     1       3.730  -4.255  -1.046  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.073  -1.083   0.422  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.101  -0.811  -1.337  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.343  -3.996  -0.902  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.714  -4.651  -0.956  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.470  -2.953  -0.665  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.329   0.995  -1.159  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.077   0.954   0.455  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.362   0.523   0.258  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.441   0.918  -1.896  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.189   2.621  -1.603  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.777   3.124   1.232  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.846   1.547   0.404  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.099   2.209   2.828  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.597   1.243   2.864  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.062  -1.305   1.387  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    1    1    1    3                                       
CONECT    3    7    2    4    4                                       
CONECT    4    3    3    5   45                                       
CONECT    5    6    6    4   46                                       
CONECT    6    8    5    5   47                                       
CONECT    7    8    8    3   48                                       
CONECT    8    9    7    7    6                                       
CONECT    9   10    8   49   50                                       
CONECT   10   11    9                                                 
CONECT   11   21   21   12   10                                       
CONECT   12   25   25   11   13                                       
CONECT   13   12   14   51   52                                       
CONECT   14   13   15   53                                            
CONECT   15   14   16   19   54                                       
CONECT   16   17   17   15   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   55                                                 
CONECT   19   15   20   56   57                                       
CONECT   20   19   58                                                 
CONECT   21   22   11   11   59                                       
CONECT   22   26   23   23   21                                       
CONECT   23   24   22   22   25                                       
CONECT   24   23   60   61   62                                       
CONECT   25   23   12   12   63                                       
CONECT   26   27   22                                                 
CONECT   27   28   26   64   65                                       
CONECT   28   29   29   33   27                                       
CONECT   29   30   28   28   66                                       
CONECT   30   31   31   29   67                                       
CONECT   31   30   30   32   68                                       
CONECT   32   31   35   33   33                                       
CONECT   33   32   32   28   34                                       
CONECT   34   33   69   70   71                                       
CONECT   35   44   32   36   36                                       
CONECT   36   35   35   37   72                                       
CONECT   37   38   38   36   73                                       
CONECT   38   43   39   37   37                                       
CONECT   39   40   38                                                 
CONECT   40   41   39   74   75                                       
CONECT   41   42   40   76   77                                       
CONECT   42   41   43                                                 
CONECT   43   42   44   44   38                                       
CONECT   44   43   43   35   78                                       
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   27                                                      
CONECT   65   27                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   36                                                      
CONECT   73   37                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   41                                                      
CONECT   77   41                                                      
CONECT   78   44                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
