COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.366  -0.768  -3.295  1.00  0.00           C  
HETATM    2  C   UNL     1       4.207   0.177  -2.907  1.00  0.00           C  
HETATM    3  C   UNL     1       3.273  -1.429  -4.300  1.00  0.00           C  
HETATM    4  O   UNL     1       2.495  -1.993  -5.040  1.00  0.00           O  
HETATM    5  C   UNL     1       4.603  -1.992  -3.849  1.00  0.00           C  
HETATM    6  N   UNL     1       3.082  -0.210  -3.766  1.00  0.00           N  
HETATM    7  C   UNL     1       1.901   0.621  -4.007  1.00  0.00           C  
HETATM    8  C   UNL     1       1.713   0.817  -5.513  1.00  0.00           C  
HETATM    9  C   UNL     1       0.553   1.783  -5.761  1.00  0.00           C  
HETATM   10  C   UNL     1       2.995   1.395  -6.115  1.00  0.00           C  
HETATM   11  C   UNL     1       0.684  -0.056  -3.433  1.00  0.00           C  
HETATM   12  O   UNL     1       0.732  -1.227  -3.121  1.00  0.00           O  
HETATM   13  N   UNL     1      -0.458   0.638  -3.267  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.619   0.000  -2.640  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.066  -1.190  -3.490  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.564  -0.697  -4.824  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.720  -0.700  -5.919  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.865  -0.248  -4.952  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.173  -0.248  -7.143  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.322   0.209  -6.173  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.477   0.208  -7.274  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.240  -0.485  -1.240  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.793   0.706  -0.390  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.372  -1.107  -0.629  1.00  0.00           O  
HETATM   25  O   UNL     1      -3.925   0.653  -8.477  1.00  0.00           O  
HETATM   26  N   UNL     1      -0.429   0.239   0.953  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.011   1.425   1.713  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.249   2.204   2.162  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.870   1.519   3.352  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.563   1.944   4.631  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.132   1.317   5.723  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.745   0.465   3.162  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.317  -0.163   4.250  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.011   0.261   5.535  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.572  -0.356   6.608  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.518  -1.040   7.288  1.00  0.00           C  
HETATM   37  C   UNL     1       0.778   0.994   2.922  1.00  0.00           C  
HETATM   38  O   UNL     1       1.123   1.806   3.755  1.00  0.00           O  
HETATM   39  N   UNL     1       1.098  -0.323   3.062  1.00  0.00           N  
HETATM   40  C   UNL     1       1.891  -0.672   4.260  1.00  0.00           C  
HETATM   41  C   UNL     1       0.957  -0.915   5.416  1.00  0.00           C  
HETATM   42  O   UNL     1       0.672  -0.015   6.177  1.00  0.00           O  
HETATM   43  C   UNL     1       2.838   0.479   4.600  1.00  0.00           C  
HETATM   44  C   UNL     1       3.661   0.846   3.364  1.00  0.00           C  
HETATM   45  C   UNL     1       3.778   0.050   5.729  1.00  0.00           C  
HETATM   46  C   UNL     1       4.608   1.998   3.705  1.00  0.00           C  
HETATM   47  N   UNL     1       0.433  -2.163   5.593  1.00  0.00           N  
HETATM   48  C   UNL     1      -0.444  -2.334   6.770  1.00  0.00           C  
HETATM   49  C   UNL     1      -1.892  -2.073   6.349  1.00  0.00           C  
HETATM   50  H   UNL     1       5.995  -0.319  -4.063  1.00  0.00           H  
HETATM   51  H   UNL     1       5.957  -1.040  -2.420  1.00  0.00           H  
HETATM   52  H   UNL     1       4.487   1.213  -3.096  1.00  0.00           H  
HETATM   53  H   UNL     1       3.945   0.041  -1.858  1.00  0.00           H  
HETATM   54  H   UNL     1       5.141  -2.428  -4.692  1.00  0.00           H  
HETATM   55  H   UNL     1       4.453  -2.735  -3.066  1.00  0.00           H  
HETATM   56  H   UNL     1       2.036   1.591  -3.528  1.00  0.00           H  
HETATM   57  H   UNL     1       1.493  -0.142  -5.979  1.00  0.00           H  
HETATM   58  H   UNL     1       0.460   1.972  -6.830  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.371   1.343  -5.388  1.00  0.00           H  
HETATM   60  H   UNL     1       0.744   2.722  -5.241  1.00  0.00           H  
HETATM   61  H   UNL     1       3.173   2.389  -5.705  1.00  0.00           H  
HETATM   62  H   UNL     1       3.836   0.746  -5.872  1.00  0.00           H  
HETATM   63  H   UNL     1       2.889   1.463  -7.198  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.512   1.561  -3.561  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.434   0.721  -2.567  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.223  -1.864  -3.643  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.868  -1.721  -2.977  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.705  -1.055  -5.818  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.522  -0.247  -4.096  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.513  -0.249  -7.998  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.337   0.565  -6.272  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.425  -1.205  -1.313  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.607   1.426  -0.317  1.00  0.00           H  
HETATM   74  H   UNL     1       0.070   1.180  -0.856  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.068  -0.437  -0.583  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.296  -0.112  -8.937  1.00  0.00           H  
HETATM   77  H   UNL     1       0.389  -0.340   0.847  1.00  0.00           H  
HETATM   78  H   UNL     1       0.608   2.061   1.081  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.959   3.219   2.437  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.971   2.242   1.346  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.878   2.766   4.777  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.892   1.649   6.722  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.982   0.135   2.161  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.000  -0.986   4.101  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.758  -0.322   7.596  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.919  -1.544   8.167  1.00  0.00           H  
HETATM   87  H   UNL     1       0.822  -0.991   2.416  1.00  0.00           H  
HETATM   88  H   UNL     1       2.471  -1.575   4.063  1.00  0.00           H  
HETATM   89  H   UNL     1       2.258   1.344   4.920  1.00  0.00           H  
HETATM   90  H   UNL     1       2.992   1.151   2.560  1.00  0.00           H  
HETATM   91  H   UNL     1       4.242  -0.019   3.044  1.00  0.00           H  
HETATM   92  H   UNL     1       4.320  -0.845   5.430  1.00  0.00           H  
HETATM   93  H   UNL     1       4.487   0.852   5.936  1.00  0.00           H  
HETATM   94  H   UNL     1       3.196  -0.159   6.627  1.00  0.00           H  
HETATM   95  H   UNL     1       5.194   2.259   2.823  1.00  0.00           H  
HETATM   96  H   UNL     1       4.027   2.863   4.024  1.00  0.00           H  
HETATM   97  H   UNL     1       5.277   1.693   4.509  1.00  0.00           H  
HETATM   98  H   UNL     1       0.626  -2.893   4.985  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.157  -1.625   7.546  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.352  -3.351   7.150  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.458  -3.003   6.401  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.910  -1.694   5.327  1.00  0.00           H  
CONECT    1    2    5   50   51                                       
CONECT    2    1    6   52   53                                       
CONECT    3    4    4    5    6                                       
CONECT    4    3    3                                                 
CONECT    5    1    3   54   55                                       
CONECT    6    2    3    7                                            
CONECT    7    6    8   11   56                                       
CONECT    8    7    9   10   57                                       
CONECT    9    8   58   59   60                                       
CONECT   10    8   61   62   63                                       
CONECT   11    7   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   64                                            
CONECT   14   13   15   22   65                                       
CONECT   15   14   16   66   67                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16   19   68                                       
CONECT   18   16   20   20   69                                       
CONECT   19   17   21   21   70                                       
CONECT   20   18   18   21   71                                       
CONECT   21   19   19   20   25                                       
CONECT   22   14   23   24   72                                       
CONECT   23   22   26   73   74                                       
CONECT   24   22   75                                                 
CONECT   25   21   76                                                 
CONECT   26   23   27   77                                            
CONECT   27   26   28   37   78                                       
CONECT   28   27   29   79   80                                       
CONECT   29   28   30   32   32                                       
CONECT   30   29   31   31   81                                       
CONECT   31   30   30   34   82                                       
CONECT   32   29   29   33   83                                       
CONECT   33   32   34   34   84                                       
CONECT   34   31   33   33   35                                       
CONECT   35   34   36                                                 
CONECT   36   35   49   85   86                                       
CONECT   37   27   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40   87                                            
CONECT   40   39   41   43   88                                       
CONECT   41   40   42   42   47                                       
CONECT   42   41   41                                                 
CONECT   43   40   44   45   89                                       
CONECT   44   43   46   90   91                                       
CONECT   45   43   92   93   94                                       
CONECT   46   44   95   96   97                                       
CONECT   47   41   48   98                                            
CONECT   48   47   49   99  100                                       
CONECT   49   36   48  101  102                                       
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   22                                                      
CONECT   73   23                                                      
CONECT   74   23                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   30                                                      
CONECT   82   31                                                      
CONECT   83   32                                                      
CONECT   84   33                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   39                                                      
CONECT   88   40                                                      
CONECT   89   43                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   45                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
CONECT  100   48                                                      
CONECT  101   49                                                      
CONECT  102   49                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
