COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNK A   0      -1.414  -3.647   1.310  1.00  0.00           C  
HETATM    2  O   UNK A   0      -1.018  -2.937   2.210  1.00  0.00           O  
HETATM    3  C   UNK A   0      -0.476  -4.050   0.201  1.00  0.00           C  
HETATM    4  C   UNK A   0      -0.257  -5.564   0.244  1.00  0.00           C  
HETATM    5  O   UNK A   0       0.776  -3.382   0.369  1.00  0.00           O  
HETATM    6  P   UNK A   0       1.393  -2.385  -0.734  1.00  0.00           P  
HETATM    7  O   UNK A   0       1.481  -3.084  -2.036  1.00  0.00           O  
HETATM    8  O   UNK A   0       0.443  -1.094  -0.881  1.00  0.00           O  
HETATM    9  O   UNK A   0       2.864  -1.920  -0.274  1.00  0.00           O  
HETATM   10  C   UNK A   0       3.716  -1.115  -1.090  1.00  0.00           C  
HETATM   11  C   UNK A   0       5.033  -0.858  -0.355  1.00  0.00           C  
HETATM   12  O   UNK A   0       5.731  -2.093  -0.184  1.00  0.00           O  
HETATM   13  C   UNK A   0       5.895   0.105  -1.174  1.00  0.00           C  
HETATM   14  O   UNK A   0       5.197   1.340  -1.345  1.00  0.00           O  
HETATM   15  C   UNK A   0       7.212   0.362  -0.438  1.00  0.00           C  
HETATM   16  O   UNK A   0       7.910  -0.873  -0.267  1.00  0.00           O  
HETATM   17  C   UNK A   0       8.074   1.325  -1.257  1.00  0.00           C  
HETATM   18  N   UNK A   0       9.335   1.571  -0.553  1.00  0.00           N  
HETATM   19  C   UNK A   0      10.423   0.757  -0.792  1.00  0.00           C  
HETATM   20  C   UNK A   0      10.315  -0.291  -1.700  1.00  0.00           C  
HETATM   21  C   UNK A   0      11.404  -1.109  -1.942  1.00  0.00           C  
HETATM   22  O   UNK A   0      11.294  -2.130  -2.828  1.00  0.00           O  
HETATM   23  C   UNK A   0      12.615  -0.892  -1.281  1.00  0.00           C  
HETATM   24  C   UNK A   0      12.742   0.127  -0.389  1.00  0.00           C  
HETATM   25  C   UNK A   0      11.649   0.972  -0.127  1.00  0.00           C  
HETATM   26  C   UNK A   0      11.779   2.030   0.799  1.00  0.00           C  
HETATM   27  C   UNK A   0       9.427   2.605   0.329  1.00  0.00           C  
HETATM   28  N   UNK A   0       8.401   3.408   0.578  1.00  0.00           N  
HETATM   29  C   UNK A   0      10.688   2.845   1.037  1.00  0.00           C  
HETATM   30  C   UNK A   0      10.739   3.972   1.980  1.00  0.00           C  
HETATM   31  O   UNK A   0      11.752   4.233   2.603  1.00  0.00           O  
HETATM   32  N   UNK A   0       9.613   4.709   2.126  1.00  0.00           N  
HETATM   33  C   UNK A   0       8.499   4.414   1.440  1.00  0.00           C  
HETATM   34  O   UNK A   0       7.517   5.115   1.615  1.00  0.00           O  
HETATM   35  N   UNK A   1      -2.690  -4.080   1.305  1.00  0.00           N  
HETATM   36  C   UNK A   1      -3.600  -3.693   2.386  1.00  0.00           C  
HETATM   37  C   UNK A   1      -3.435  -4.642   3.545  1.00  0.00           C  
HETATM   38  O   UNK A   1      -2.639  -5.548   3.475  1.00  0.00           O  
HETATM   39  C   UNK A   1      -5.043  -3.750   1.882  1.00  0.00           C  
HETATM   40  C   UNK A   1      -5.244  -2.698   0.789  1.00  0.00           C  
HETATM   41  C   UNK A   1      -6.666  -2.754   0.293  1.00  0.00           C  
HETATM   42  O   UNK A   1      -7.442  -3.555   0.767  1.00  0.00           O  
HETATM   43  O   UNK A   1      -4.172  -4.480   4.655  1.00  0.00           O  
HETATM   44  N   UNK A   1      -7.074  -1.913  -0.678  1.00  0.00           N  
HETATM   45  C   UNK A   1      -8.456  -1.967  -1.160  1.00  0.00           C  
HETATM   46  C   UNK A   1      -8.576  -3.025  -2.226  1.00  0.00           C  
HETATM   47  O   UNK A   1      -7.605  -3.668  -2.550  1.00  0.00           O  
HETATM   48  C   UNK A   1      -8.846  -0.607  -1.744  1.00  0.00           C  
HETATM   49  C   UNK A   1      -8.846   0.445  -0.633  1.00  0.00           C  
HETATM   50  C   UNK A   1      -9.229   1.783  -1.209  1.00  0.00           C  
HETATM   51  O   UNK A   1      -9.479   1.886  -2.391  1.00  0.00           O  
HETATM   52  O   UNK A   1      -9.760  -3.253  -2.816  1.00  0.00           O  
HETATM   53  N   UNK A   1      -9.296   2.866  -0.409  1.00  0.00           N  
HETATM   54  C   UNK A   1      -9.669   4.168  -0.969  1.00  0.00           C  
HETATM   55  C   UNK A   1      -8.445   4.840  -1.536  1.00  0.00           C  
HETATM   56  O   UNK A   1      -7.372   4.289  -1.479  1.00  0.00           O  
HETATM   57  C   UNK A   1     -10.268   5.044   0.133  1.00  0.00           C  
HETATM   58  C   UNK A   1     -11.578   4.424   0.623  1.00  0.00           C  
HETATM   59  C   UNK A   1     -12.167   5.287   1.709  1.00  0.00           C  
HETATM   60  O   UNK A   1     -11.598   6.295   2.055  1.00  0.00           O  
HETATM   61  O   UNK A   1     -13.325   4.936   2.291  1.00  0.00           O  
HETATM   62  O   UNK A   1      -8.548   6.052  -2.105  1.00  0.00           O  
HETATM   63  H   UNK A   0      -0.910  -3.773  -0.760  1.00  0.00           H  
HETATM   64  H   UNK A   0       0.421  -5.856  -0.558  1.00  0.00           H  
HETATM   65  H   UNK A   0       0.177  -5.841   1.205  1.00  0.00           H  
HETATM   66  H   UNK A   0      -1.212  -6.074   0.116  1.00  0.00           H  
HETATM   67  H   UNK A   0       0.339  -0.587  -0.064  1.00  0.00           H  
HETATM   68  H   UNK A   0       3.918  -1.634  -2.027  1.00  0.00           H  
HETATM   69  H   UNK A   0       3.226  -0.164  -1.300  1.00  0.00           H  
HETATM   70  H   UNK A   0       4.825  -0.420   0.621  1.00  0.00           H  
HETATM   71  H   UNK A   0       5.950  -2.540  -1.013  1.00  0.00           H  
HETATM   72  H   UNK A   0       6.103  -0.333  -2.150  1.00  0.00           H  
HETATM   73  H   UNK A   0       4.978   1.787  -0.516  1.00  0.00           H  
HETATM   74  H   UNK A   0       7.004   0.800   0.538  1.00  0.00           H  
HETATM   75  H   UNK A   0       8.128  -1.320  -1.096  1.00  0.00           H  
HETATM   76  H   UNK A   0       8.282   0.887  -2.233  1.00  0.00           H  
HETATM   77  H   UNK A   0       7.541   2.267  -1.388  1.00  0.00           H  
HETATM   78  H   UNK A   0       9.382  -0.466  -2.215  1.00  0.00           H  
HETATM   79  H   UNK A   0      11.522  -1.889  -3.737  1.00  0.00           H  
HETATM   80  H   UNK A   0      13.457  -1.539  -1.480  1.00  0.00           H  
HETATM   81  H   UNK A   0      13.683   0.288   0.117  1.00  0.00           H  
HETATM   82  H   UNK A   0      12.714   2.200   1.312  1.00  0.00           H  
HETATM   83  H   UNK A   0       9.610   5.460   2.740  1.00  0.00           H  
HETATM   84  H   UNK A   1      -3.006  -4.649   0.585  1.00  0.00           H  
HETATM   85  H   UNK A   1      -3.367  -2.679   2.710  1.00  0.00           H  
HETATM   86  H   UNK A   1      -5.248  -4.740   1.476  1.00  0.00           H  
HETATM   87  H   UNK A   1      -5.725  -3.548   2.709  1.00  0.00           H  
HETATM   88  H   UNK A   1      -5.039  -1.708   1.195  1.00  0.00           H  
HETATM   89  H   UNK A   1      -4.562  -2.900  -0.038  1.00  0.00           H  
HETATM   90  H   UNK A   1      -4.031  -5.113   5.372  1.00  0.00           H  
HETATM   91  H   UNK A   1      -6.453  -1.272  -1.057  1.00  0.00           H  
HETATM   92  H   UNK A   1      -9.121  -2.210  -0.331  1.00  0.00           H  
HETATM   93  H   UNK A   1      -8.128  -0.323  -2.514  1.00  0.00           H  
HETATM   94  H   UNK A   1      -9.842  -0.672  -2.182  1.00  0.00           H  
HETATM   95  H   UNK A   1      -9.564   0.161   0.137  1.00  0.00           H  
HETATM   96  H   UNK A   1      -7.850   0.510  -0.195  1.00  0.00           H  
HETATM   97  H   UNK A   1      -9.787  -3.941  -3.494  1.00  0.00           H  
HETATM   98  H   UNK A   1      -9.096   2.784   0.536  1.00  0.00           H  
HETATM   99  H   UNK A   1     -10.405   4.026  -1.760  1.00  0.00           H  
HETATM  100  H   UNK A   1      -9.565   5.114   0.964  1.00  0.00           H  
HETATM  101  H   UNK A   1     -10.463   6.041  -0.261  1.00  0.00           H  
HETATM  102  H   UNK A   1     -12.280   4.354  -0.208  1.00  0.00           H  
HETATM  103  H   UNK A   1     -11.382   3.427   1.018  1.00  0.00           H  
HETATM  104  H   UNK A   1     -13.663   5.521   2.982  1.00  0.00           H  
HETATM  105  H   UNK A   1      -7.736   6.443  -2.455  1.00  0.00           H  
CONECT    1    3   35    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    5    4    1   63                                       
CONECT    4    3   64   65   66                                       
CONECT    5    6    3                                                 
CONECT    6    7    7    9    8                                       
CONECT    6    5                                                      
CONECT    7    6    6                                                 
CONECT    8    6   67                                                 
CONECT    9   10    6                                                 
CONECT   10   11    9   68   69                                       
CONECT   11   12   10   13   70                                       
CONECT   12   11   71                                                 
CONECT   13   11   14   15   72                                       
CONECT   14   13   73                                                 
CONECT   15   17   13   16   74                                       
CONECT   16   15   75                                                 
CONECT   17   18   15   76   77                                       
CONECT   18   27   17   19                                            
CONECT   19   18   25   25   20                                       
CONECT   20   19   21   21   78                                       
CONECT   21   20   20   23   22                                       
CONECT   22   21   79                                                 
CONECT   23   24   24   21   80                                       
CONECT   24   25   23   23   81                                       
CONECT   25   26   19   19   24                                       
CONECT   26   29   29   25   82                                       
CONECT   27   28   28   29   18                                       
CONECT   28   33   27   27                                            
CONECT   29   30   27   26   26                                       
CONECT   30   32   31   31   29                                       
CONECT   31   30   30                                                 
CONECT   32   33   30   83                                            
CONECT   33   34   34   32   28                                       
CONECT   34   33   33                                                 
CONECT   35    1   36   84                                            
CONECT   36   39   35   37   85                                       
CONECT   37   38   38   36   43                                       
CONECT   38   37   37                                                 
CONECT   39   40   36   86   87                                       
CONECT   40   41   39   89   88                                       
CONECT   41   44   42   42   40                                       
CONECT   42   41   41                                                 
CONECT   43   37   90                                                 
CONECT   44   45   41   91                                            
CONECT   45   46   48   44   92                                       
CONECT   46   47   47   52   45                                       
CONECT   47   46   46                                                 
CONECT   48   45   49   93   94                                       
CONECT   49   48   50   95   96                                       
CONECT   50   49   51   51   53                                       
CONECT   51   50   50                                                 
CONECT   52   46   97                                                 
CONECT   53   50   54   98                                            
CONECT   54   53   57   55   99                                       
CONECT   55   54   56   56   62                                       
CONECT   56   55   55                                                 
CONECT   57   58   54  100  101                                       
CONECT   58   59   57  102  103                                       
CONECT   59   58   60   60   61                                       
CONECT   60   59   59                                                 
CONECT   61   59  104                                                 
CONECT   62   55  105                                                 
CONECT   63    3                                                      
CONECT   64    4                                                      
CONECT   65    4                                                      
CONECT   66    4                                                      
CONECT   67    8                                                      
CONECT   68   10                                                      
CONECT   69   10                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   17                                                      
CONECT   77   17                                                      
CONECT   78   20                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   24                                                      
CONECT   82   26                                                      
CONECT   83   32                                                      
CONECT   84   35                                                      
CONECT   85   36                                                      
CONECT   86   39                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   40                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   48                                                      
CONECT   94   48                                                      
CONECT   95   49                                                      
CONECT   96   49                                                      
CONECT   97   52                                                      
CONECT   98   53                                                      
CONECT   99   54                                                      
CONECT  100   57                                                      
CONECT  101   57                                                      
CONECT  102   58                                                      
CONECT  103   58                                                      
CONECT  104   61                                                      
CONECT  105   62                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
