COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.430   1.341  -0.262  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.772   2.447   0.566  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.616   3.030  -0.205  1.00  0.00           C  
HETATM    4  C   UNL     1     -11.931  -6.046   0.344  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.757  -5.453  -0.439  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.099  -4.347   0.388  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.926  -3.755  -0.394  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.267  -2.649   0.433  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.094  -2.056  -0.350  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.436  -0.950   0.477  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.262  -0.358  -0.306  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.604   0.748   0.521  1.00  0.00           C  
HETATM   13  CA  UNL     1       0.241   4.594  -0.419  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.274   5.679  -1.367  1.00  0.00           C  
HETATM   15  C   UNL     1       1.248   5.204   0.557  1.00  0.00           C  
HETATM   16  C   UNL     1       2.415   5.767  -0.213  1.00  0.00           C  
HETATM   17  C   UNL     1       3.603   5.230  -0.087  1.00  0.00           C  
HETATM   18  C   UNL     1       3.773   3.951   0.691  1.00  0.00           C  
HETATM   19  C   UNL     1       4.515   2.925  -0.169  1.00  0.00           C  
HETATM   20  C   UNL     1       4.687   1.627   0.621  1.00  0.00           C  
HETATM   21  C   UNL     1       5.429   0.601  -0.239  1.00  0.00           C  
HETATM   22  C   UNL     1       5.601  -0.698   0.551  1.00  0.00           C  
HETATM   23  C   UNL     1       6.343  -1.723  -0.309  1.00  0.00           C  
HETATM   24  C   UNL     1       6.515  -3.022   0.481  1.00  0.00           C  
HETATM   25  C   UNL     1       7.257  -4.047  -0.379  1.00  0.00           C  
HETATM   26  C   UNL     1       7.429  -5.346   0.411  1.00  0.00           C  
HETATM   27  C   UNL     1       8.171  -6.372  -0.449  1.00  0.00           C  
HETATM   28  C   UNL     1       8.343  -7.670   0.341  1.00  0.00           C  
HETATM   29  C   UNL     1       9.085  -8.696  -0.519  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.883   4.026   0.330  1.00  0.00           N  
HETATM   31  O   UNL     1      -1.345   2.603  -1.308  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.832   6.751  -0.604  1.00  0.00           O  
HETATM   33  O   UNL     1       0.618   6.250   1.300  1.00  0.00           O  
HETATM   34  H   UNL     1      -3.793   1.757  -1.201  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.700   0.558  -0.469  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.502   3.229   0.773  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.409   2.031   1.505  1.00  0.00           H  
HETATM   38  H   UNL     1     -12.400  -6.834  -0.245  1.00  0.00           H  
HETATM   39  H   UNL     1     -11.568  -6.462   1.284  1.00  0.00           H  
HETATM   40  H   UNL     1     -12.661  -5.263   0.551  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.027  -6.236  -0.646  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.121  -5.037  -1.378  1.00  0.00           H  
HETATM   43  H   UNL     1     -10.830  -3.565   0.595  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.736  -4.763   1.328  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.195  -4.537  -0.602  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.289  -3.339  -1.334  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.998  -1.866   0.640  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.904  -3.065   1.372  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.364  -2.839  -0.557  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.457  -1.640  -1.290  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.166  -0.168   0.684  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.073  -1.366   1.417  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.532  -1.140  -0.513  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.625   0.058  -1.245  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.241   0.332   1.461  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.334   1.531   0.728  1.00  0.00           H  
HETATM   57  HA  UNL     1       0.726   3.807  -0.998  1.00  0.00           H  
HETATM   58  H1  UNL     1       0.551   6.055  -1.971  1.00  0.00           H  
HETATM   59  H2  UNL     1      -1.040   5.259  -2.018  1.00  0.00           H  
HETATM   60  H   UNL     1       1.603   4.434   1.242  1.00  0.00           H  
HETATM   61  H   UNL     1       2.272   6.614  -0.868  1.00  0.00           H  
HETATM   62  H   UNL     1       4.461   5.704  -0.542  1.00  0.00           H  
HETATM   63  H   UNL     1       4.348   4.150   1.595  1.00  0.00           H  
HETATM   64  H   UNL     1       2.794   3.557   0.962  1.00  0.00           H  
HETATM   65  H   UNL     1       3.940   2.727  -1.074  1.00  0.00           H  
HETATM   66  H   UNL     1       5.494   3.319  -0.440  1.00  0.00           H  
HETATM   67  H   UNL     1       5.262   1.825   1.526  1.00  0.00           H  
HETATM   68  H   UNL     1       3.708   1.233   0.892  1.00  0.00           H  
HETATM   69  H   UNL     1       4.854   0.402  -1.144  1.00  0.00           H  
HETATM   70  H   UNL     1       6.409   0.995  -0.510  1.00  0.00           H  
HETATM   71  H   UNL     1       6.176  -0.499   1.456  1.00  0.00           H  
HETATM   72  H   UNL     1       4.622  -1.091   0.822  1.00  0.00           H  
HETATM   73  H   UNL     1       5.768  -1.922  -1.214  1.00  0.00           H  
HETATM   74  H   UNL     1       7.323  -1.330  -0.580  1.00  0.00           H  
HETATM   75  H   UNL     1       7.090  -2.823   1.386  1.00  0.00           H  
HETATM   76  H   UNL     1       5.536  -3.415   0.752  1.00  0.00           H  
HETATM   77  H   UNL     1       6.682  -4.246  -1.284  1.00  0.00           H  
HETATM   78  H   UNL     1       8.236  -3.654  -0.650  1.00  0.00           H  
HETATM   79  H   UNL     1       8.004  -5.147   1.316  1.00  0.00           H  
HETATM   80  H   UNL     1       6.450  -5.740   0.682  1.00  0.00           H  
HETATM   81  H   UNL     1       7.596  -6.570  -1.354  1.00  0.00           H  
HETATM   82  H   UNL     1       9.151  -5.978  -0.720  1.00  0.00           H  
HETATM   83  H   UNL     1       8.918  -7.472   1.246  1.00  0.00           H  
HETATM   84  H   UNL     1       7.364  -8.064   0.612  1.00  0.00           H  
HETATM   85  H   UNL     1       9.208  -9.621   0.044  1.00  0.00           H  
HETATM   86  H   UNL     1       8.510  -8.895  -1.424  1.00  0.00           H  
HETATM   87  H   UNL     1      10.064  -8.302  -0.790  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.100   4.368   1.212  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.179   7.477  -1.141  1.00  0.00           H  
HETATM   90  H   UNL     1       1.176   6.631   1.992  1.00  0.00           H  
CONECT    1   12    2   34   35                                       
CONECT    2    1    3   36   37                                       
CONECT    3   31   31    2   30                                       
CONECT    4    5   38   39   40                                       
CONECT    5    6    4   41   42                                       
CONECT    6    7    5   43   44                                       
CONECT    7    6    8   45   46                                       
CONECT    8    7    9   47   48                                       
CONECT    9    8   10   49   50                                       
CONECT   10    9   11   51   52                                       
CONECT   11   10   12   53   54                                       
CONECT   12   11    1   55   56                                       
CONECT   13   15   30   14   57                                       
CONECT   14   13   32   58   59                                       
CONECT   15   33   13   16   60                                       
CONECT   16   15   17   17   61                                       
CONECT   17   18   16   16   62                                       
CONECT   18   19   17   63   64                                       
CONECT   19   20   18   65   66                                       
CONECT   20   21   19   67   68                                       
CONECT   21   20   22   69   70                                       
CONECT   22   23   21   71   72                                       
CONECT   23   24   22   73   74                                       
CONECT   24   25   23   75   76                                       
CONECT   25   26   24   77   78                                       
CONECT   26   27   25   79   80                                       
CONECT   27   28   26   81   82                                       
CONECT   28   29   27   83   84                                       
CONECT   29   28   85   86   87                                       
CONECT   30    3   13   88                                            
CONECT   31    3    3                                                 
CONECT   32   14   89                                                 
CONECT   33   15   90                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   29                                                      
CONECT   88   30                                                      
CONECT   89   32                                                      
CONECT   90   33                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
