COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.728  -0.873   1.511  1.00  0.00           C  
HETATM    2  C   UNL     1       6.585  -1.362   0.556  1.00  0.00           C  
HETATM    3  C   UNL     1       7.470  -2.401   0.864  1.00  0.00           C  
HETATM    4  C   UNL     1       6.826  -1.012  -0.891  1.00  0.00           C  
HETATM    5  C   UNL     1       8.580   0.962  -0.628  1.00  0.00           C  
HETATM    6  C   UNL     1       9.649   3.127  -0.661  1.00  0.00           C  
HETATM    7  C   UNL     1       5.136   1.344  -2.000  1.00  0.00           C  
HETATM    8  C   UNL     1       1.874   1.330  -0.115  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.516   1.348   0.615  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.905   1.365   1.344  1.00  0.00           C  
HETATM   11  C   UNL     1       7.476  -2.939   2.154  1.00  0.00           C  
HETATM   12  C   UNL     1       6.614  -2.445   3.108  1.00  0.00           C  
HETATM   13  C   UNL     1       5.742  -1.409   2.795  1.00  0.00           C  
HETATM   14  N   UNL     1       7.887  -1.912  -1.359  1.00  0.00           N  
HETATM   15  C   UNL     1       8.255  -2.711  -0.343  1.00  0.00           C  
HETATM   16  O   UNL     1       9.115  -3.569  -0.411  1.00  0.00           O  
HETATM   17  C   UNL     1       7.273   0.422  -1.011  1.00  0.00           C  
HETATM   18  C   UNL     1       6.550   1.447  -1.488  1.00  0.00           C  
HETATM   19  N   UNL     1       7.287   2.599  -1.443  1.00  0.00           N  
HETATM   20  C   UNL     1       8.534   2.337  -0.922  1.00  0.00           C  
HETATM   21  C   UNL     1       9.736   0.405  -0.077  1.00  0.00           C  
HETATM   22  C   UNL     1      10.782   2.556  -0.125  1.00  0.00           C  
HETATM   23  C   UNL     1      10.821   1.200   0.169  1.00  0.00           C  
HETATM   24  N   UNL     1       4.206   1.314  -0.863  1.00  0.00           N  
HETATM   25  O   UNL     1       4.896  -0.927   3.740  1.00  0.00           O  
HETATM   26  C   UNL     1       2.811   1.362  -1.324  1.00  0.00           C  
HETATM   27  C   UNL     1       0.422   1.380  -0.594  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.968   1.398   0.135  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.263  -2.899  -2.225  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.377  -2.351  -3.126  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.555  -1.296  -2.747  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.624  -0.789  -1.453  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.505  -1.332  -0.551  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.340  -2.390  -0.926  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.825  -1.028   0.892  1.00  0.00           C  
HETATM   36  N   UNL     1      -7.872  -1.977   1.288  1.00  0.00           N  
HETATM   37  C   UNL     1      -8.168  -2.758   0.235  1.00  0.00           C  
HETATM   38  O   UNL     1      -9.000  -3.645   0.242  1.00  0.00           O  
HETATM   39  C   UNL     1      -7.329   0.386   1.024  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.647   1.435   1.510  1.00  0.00           C  
HETATM   41  N   UNL     1      -7.430   2.557   1.475  1.00  0.00           N  
HETATM   42  C   UNL     1      -8.665   2.249   0.951  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.655   0.877   0.640  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.787   0.280   0.082  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.811   2.996   0.698  1.00  0.00           C  
HETATM   46  C   UNL     1     -10.920   2.386   0.153  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.900   1.034  -0.163  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.230   1.384   2.020  1.00  0.00           C  
HETATM   49  N   UNL     1      -4.299   1.413   0.884  1.00  0.00           N  
HETATM   50  O   UNL     1      -4.684  -0.761  -3.639  1.00  0.00           O  
HETATM   51  H   UNL     1       5.048  -0.071   1.267  1.00  0.00           H  
HETATM   52  H   UNL     1       5.917  -1.171  -1.471  1.00  0.00           H  
HETATM   53  H   UNL     1       9.627   4.184  -0.882  1.00  0.00           H  
HETATM   54  H   UNL     1       4.914   2.205  -2.629  1.00  0.00           H  
HETATM   55  H   UNL     1       5.027   0.430  -2.583  1.00  0.00           H  
HETATM   56  H   UNL     1       2.039   0.412   0.449  1.00  0.00           H  
HETATM   57  H   UNL     1       2.076   2.190   0.524  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.350   0.429   1.178  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.314   2.207   1.254  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.740   0.447   1.908  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.704   2.225   1.983  1.00  0.00           H  
HETATM   62  H   UNL     1       8.155  -3.741   2.402  1.00  0.00           H  
HETATM   63  H   UNL     1       6.619  -2.862   4.104  1.00  0.00           H  
HETATM   64  H   UNL     1       8.260  -1.928  -2.254  1.00  0.00           H  
HETATM   65  H   UNL     1       6.977   3.470  -1.735  1.00  0.00           H  
HETATM   66  H   UNL     1       9.773  -0.649   0.155  1.00  0.00           H  
HETATM   67  H   UNL     1      11.647   3.171   0.075  1.00  0.00           H  
HETATM   68  H   UNL     1      11.717   0.768   0.590  1.00  0.00           H  
HETATM   69  H   UNL     1       4.368   0.504  -0.284  1.00  0.00           H  
HETATM   70  H   UNL     1       5.261  -0.199   4.260  1.00  0.00           H  
HETATM   71  H   UNL     1       2.610   0.503  -1.963  1.00  0.00           H  
HETATM   72  H   UNL     1       2.646   2.281  -1.887  1.00  0.00           H  
HETATM   73  H   UNL     1       0.257   2.299  -1.158  1.00  0.00           H  
HETATM   74  H   UNL     1       0.220   0.521  -1.233  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.133   2.316  -0.428  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.169   0.538  -0.504  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.900  -3.718  -2.524  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.321  -2.742  -4.131  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.984   0.030  -1.158  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.938  -1.168   1.510  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.284  -2.029   2.164  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.155   3.437   1.774  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.782  -0.773  -0.156  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.832   4.051   0.928  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.808   2.968  -0.042  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.775   0.572  -0.595  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.045   2.244   2.664  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.081   0.466   2.588  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.461   2.224   0.305  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.050  -0.030  -4.156  1.00  0.00           H  
CONECT    1   13    2    2   51                                       
CONECT    2    1    1    3    4                                       
CONECT    3   11   11    2   15                                       
CONECT    4    2   17   14   52                                       
CONECT    5   21   21   20   17                                       
CONECT    6   22   20   20   53                                       
CONECT    7   18   24   54   55                                       
CONECT    8   26   27   56   57                                       
CONECT    9   27   28   58   59                                       
CONECT   10   28   49   60   61                                       
CONECT   11   12    3    3   62                                       
CONECT   12   13   13   11   63                                       
CONECT   13   25   12   12    1                                       
CONECT   14    4   15   64                                            
CONECT   15    3   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17    5   18   18    4                                       
CONECT   18   19   17   17    7                                       
CONECT   19   20   18   65                                            
CONECT   20    6    6    5   19                                       
CONECT   21   23    5    5   66                                       
CONECT   22   23   23    6   67                                       
CONECT   23   22   22   21   68                                       
CONECT   24    7   26   69                                            
CONECT   25   13   70                                                 
CONECT   26   24    8   71   72                                       
CONECT   27    8    9   73   74                                       
CONECT   28    9   10   75   76                                       
CONECT   29   34   34   30   77                                       
CONECT   30   29   31   31   78                                       
CONECT   31   30   30   32   50                                       
CONECT   32   33   33   31   79                                       
CONECT   33   35   34   32   32                                       
CONECT   34   37   29   29   33                                       
CONECT   35   36   39   33   80                                       
CONECT   36   37   35   81                                            
CONECT   37   38   38   36   34                                       
CONECT   38   37   37                                                 
CONECT   39   35   40   40   43                                       
CONECT   40   48   39   39   41                                       
CONECT   41   40   42   82                                            
CONECT   42   41   43   43   45                                       
CONECT   43   39   42   42   44                                       
CONECT   44   43   47   47   83                                       
CONECT   45   42   46   46   84                                       
CONECT   46   45   45   47   85                                       
CONECT   47   44   44   46   86                                       
CONECT   48   49   40   87   88                                       
CONECT   49   10   48   89                                            
CONECT   50   31   90                                                 
CONECT   51    1                                                      
CONECT   52    4                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   14                                                      
CONECT   65   19                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   32                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   41                                                      
CONECT   83   44                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   47                                                      
CONECT   87   48                                                      
CONECT   88   48                                                      
CONECT   89   49                                                      
CONECT   90   50                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
