COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.465   1.196  -3.104  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.391   0.661  -1.990  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.668   0.840  -0.629  1.00  0.00           C  
HETATM    4  C   UNL     1       5.934   3.484   2.013  1.00  0.00           C  
HETATM    5  C   UNL     1       5.404   3.370   0.741  1.00  0.00           C  
HETATM    6  C   UNL     1       4.055   3.118   0.573  1.00  0.00           C  
HETATM    7  C   UNL     1       6.465  -0.587  -1.617  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.307  -2.976   3.257  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.128  -3.134   2.155  1.00  0.00           C  
HETATM   10  C   UNL     1       3.636  -2.651  -0.227  1.00  0.00           C  
HETATM   11  C   UNL     1       3.819  -3.993  -0.957  1.00  0.00           C  
HETATM   12  C   UNL     1       3.737  -3.688  -2.467  1.00  0.00           C  
HETATM   13  C   UNL     1       4.118  -2.191  -2.573  1.00  0.00           C  
HETATM   14  C   UNL     1       8.679  -0.860  -2.467  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.126   2.520  -3.543  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.525   1.719  -1.905  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.853   2.358  -0.385  1.00  0.00           C  
HETATM   18  C   UNL     1       3.766   3.088   2.950  1.00  0.00           C  
HETATM   19  C   UNL     1       5.115   3.340   3.117  1.00  0.00           C  
HETATM   20  C   UNL     1       3.236   2.980   1.678  1.00  0.00           C  
HETATM   21  C   UNL     1       3.449  -1.577  -1.318  1.00  0.00           C  
HETATM   22  C   UNL     1       4.152  -0.278  -0.918  1.00  0.00           C  
HETATM   23  C   UNL     1       3.484   0.299   0.304  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.249  -2.805   0.708  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.599  -3.047   0.881  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.959  -2.728   3.084  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.429  -2.642   1.810  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.958  -2.378   1.621  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.668   0.005   0.369  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.717  -0.869   1.539  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.213  -0.595   1.474  1.00  0.00           C  
HETATM   32  C   UNL     1       1.765   2.706   1.496  1.00  0.00           C  
HETATM   33  C   UNL     1       0.027   0.914   1.392  1.00  0.00           C  
HETATM   34  C   UNL     1       1.530   1.194   1.452  1.00  0.00           C  
HETATM   35  N   UNL     1       5.559  -0.555  -0.620  1.00  0.00           N  
HETATM   36  N   UNL     1      -2.364  -0.336   0.338  1.00  0.00           N  
HETATM   37  N   UNL     1       2.179   0.634   0.264  1.00  0.00           N  
HETATM   38  O   UNL     1       7.759  -0.842  -1.344  1.00  0.00           O  
HETATM   39  O   UNL     1      -7.518   2.372  -3.191  1.00  0.00           O  
HETATM   40  O   UNL     1      -7.169   2.652  -0.881  1.00  0.00           O  
HETATM   41  O   UNL     1       6.115  -0.385  -2.763  1.00  0.00           O  
HETATM   42  O   UNL     1       4.121   0.462   1.323  1.00  0.00           O  
HETATM   43  O   UNL     1      -4.307  -0.131   1.393  1.00  0.00           O  
HETATM   44  O   UNL     1       0.336  -1.228   0.316  1.00  0.00           O  
HETATM   45  O   UNL     1      -4.262   0.495  -0.735  1.00  0.00           O  
HETATM   46  H   UNL     1      -4.464   1.380  -2.713  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.425   0.493  -3.936  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.737  -0.357  -2.167  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.155   0.255   0.152  1.00  0.00           H  
HETATM   50  H   UNL     1       6.987   3.681   2.143  1.00  0.00           H  
HETATM   51  H   UNL     1       6.044   3.479  -0.123  1.00  0.00           H  
HETATM   52  H   UNL     1       3.642   3.029  -0.420  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.721  -3.044   4.252  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.182  -3.325   2.290  1.00  0.00           H  
HETATM   55  H   UNL     1       2.755  -2.691   0.413  1.00  0.00           H  
HETATM   56  H   UNL     1       4.521  -2.427   0.370  1.00  0.00           H  
HETATM   57  H   UNL     1       4.793  -4.420  -0.715  1.00  0.00           H  
HETATM   58  H   UNL     1       3.027  -4.685  -0.671  1.00  0.00           H  
HETATM   59  H   UNL     1       4.447  -4.303  -3.020  1.00  0.00           H  
HETATM   60  H   UNL     1       2.723  -3.851  -2.834  1.00  0.00           H  
HETATM   61  H   UNL     1       5.200  -2.064  -2.535  1.00  0.00           H  
HETATM   62  H   UNL     1       3.708  -1.752  -3.483  1.00  0.00           H  
HETATM   63  H   UNL     1       9.685  -1.077  -2.108  1.00  0.00           H  
HETATM   64  H   UNL     1       8.372  -1.630  -3.175  1.00  0.00           H  
HETATM   65  H   UNL     1       8.670   0.112  -2.960  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.686   3.360  -3.005  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.018   2.660  -4.619  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.490   1.254  -1.700  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.799   2.579   0.681  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.095   2.923  -0.926  1.00  0.00           H  
HETATM   71  H   UNL     1       3.127   2.976   3.813  1.00  0.00           H  
HETATM   72  H   UNL     1       5.530   3.424   4.111  1.00  0.00           H  
HETATM   73  H   UNL     1       2.389  -1.398  -1.499  1.00  0.00           H  
HETATM   74  H   UNL     1       4.088   0.437  -1.738  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.836  -2.738  -0.287  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.240  -3.170   0.021  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.318  -2.600   3.944  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.404  -2.789   2.465  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.619  -2.850   0.699  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.136  -0.386   2.422  1.00  0.00           H  
HETATM   81  H   UNL     1       0.268  -0.992   2.368  1.00  0.00           H  
HETATM   82  H   UNL     1       1.209   3.136   2.329  1.00  0.00           H  
HETATM   83  H   UNL     1       1.425   3.154   0.562  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.377   1.296   0.454  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.468   1.406   2.229  1.00  0.00           H  
HETATM   86  H   UNL     1       1.950   0.735   2.346  1.00  0.00           H  
HETATM   87  H   UNL     1       5.839  -0.716   0.295  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.854  -0.227  -0.480  1.00  0.00           H  
HETATM   89  H   UNL     1       1.670   0.503  -0.551  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.047  -0.923  -0.518  1.00  0.00           H  
CONECT    1   15    2   46   47                                       
CONECT    2   16    1    3   48                                       
CONECT    3    2   45   17   49                                       
CONECT    4    5    5   19   50                                       
CONECT    5    6    4    4   51                                       
CONECT    6   20   20    5   52                                       
CONECT    7   41   41   35   38                                       
CONECT    8    9    9   26   53                                       
CONECT    9   25    8    8   54                                       
CONECT   10   11   21   55   56                                       
CONECT   11   12   10   57   58                                       
CONECT   12   13   11   59   60                                       
CONECT   13   12   21   61   62                                       
CONECT   14   38   63   64   65                                       
CONECT   15   39    1   66   67                                       
CONECT   16   39   40    2   68                                       
CONECT   17   40    3   69   70                                       
CONECT   18   20   19   19   71                                       
CONECT   19   18   18    4   72                                       
CONECT   20   32    6    6   18                                       
CONECT   21   13   22   10   73                                       
CONECT   22   23   21   35   74                                       
CONECT   23   37   42   42   22                                       
CONECT   24   25   25   27   75                                       
CONECT   25   24   24    9   76                                       
CONECT   26   27   27    8   77                                       
CONECT   27   24   28   26   26                                       
CONECT   28   27   30   78   79                                       
CONECT   29   45   36   43   43                                       
CONECT   30   36   28   31   80                                       
CONECT   31   44   30   33   81                                       
CONECT   32   34   20   82   83                                       
CONECT   33   31   34   84   85                                       
CONECT   34   33   37   32   86                                       
CONECT   35   22    7   87                                            
CONECT   36   29   30   88                                            
CONECT   37   34   23   89                                            
CONECT   38    7   14                                                 
CONECT   39   15   16                                                 
CONECT   40   16   17                                                 
CONECT   41    7    7                                                 
CONECT   42   23   23                                                 
CONECT   43   29   29                                                 
CONECT   44   31   90                                                 
CONECT   45    3   29                                                 
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   11                                                      
CONECT   58   11                                                      
CONECT   59   12                                                      
CONECT   60   12                                                      
CONECT   61   13                                                      
CONECT   62   13                                                      
CONECT   63   14                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   32                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   44                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
