COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.827   3.111   1.088  1.00  0.00           O  
HETATM    2  C   UNL     1       3.554   3.267   0.127  1.00  0.00           C  
HETATM    3  O   UNL     1       4.519   4.204   0.159  1.00  0.00           O  
HETATM    4  C   UNL     1       4.634   4.992   1.373  1.00  0.00           C  
HETATM    5  C   UNL     1       4.921   4.066   2.556  1.00  0.00           C  
HETATM    6  C   UNL     1       5.777   5.997   1.223  1.00  0.00           C  
HETATM    7  C   UNL     1       3.324   5.743   1.619  1.00  0.00           C  
HETATM    8  O   UNL     1       0.927   3.229  -0.324  1.00  0.00           O  
HETATM    9  C   UNL     1       1.004   2.125  -0.818  1.00  0.00           C  
HETATM   10  C   UNL     1       2.351   1.473  -1.000  1.00  0.00           C  
HETATM   11  N   UNL     1       3.397   2.497  -0.968  1.00  0.00           N  
HETATM   12  C   UNL     1       2.587   0.466   0.128  1.00  0.00           C  
HETATM   13  C   UNL     1       3.876  -0.273  -0.121  1.00  0.00           C  
HETATM   14  C   UNL     1       3.870  -1.443  -0.858  1.00  0.00           C  
HETATM   15  C   UNL     1       5.050  -2.123  -1.087  1.00  0.00           C  
HETATM   16  C   UNL     1       6.243  -1.631  -0.577  1.00  0.00           C  
HETATM   17  C   UNL     1       6.247  -0.457   0.162  1.00  0.00           C  
HETATM   18  C   UNL     1       5.064   0.222   0.384  1.00  0.00           C  
HETATM   19  O   UNL     1       7.405  -2.299  -0.800  1.00  0.00           O  
HETATM   20  C   UNL     1       8.595  -1.734  -0.245  1.00  0.00           C  
HETATM   21  C   UNL     1       9.774  -2.605  -0.593  1.00  0.00           C  
HETATM   22  C   UNL     1      10.143  -3.638   0.248  1.00  0.00           C  
HETATM   23  C   UNL     1      11.225  -4.436  -0.072  1.00  0.00           C  
HETATM   24  C   UNL     1      11.939  -4.202  -1.232  1.00  0.00           C  
HETATM   25  C   UNL     1      11.570  -3.169  -2.073  1.00  0.00           C  
HETATM   26  C   UNL     1      10.485  -2.373  -1.757  1.00  0.00           C  
HETATM   27  N   UNL     1      -0.115   1.480  -1.204  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.423   2.113  -1.027  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.488   1.051  -0.937  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.183  -0.121  -1.013  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.714   3.026  -2.220  1.00  0.00           C  
HETATM   32  N   UNL     1      -3.779   1.402  -0.772  1.00  0.00           N  
HETATM   33  C   UNL     1      -4.814   0.368  -0.684  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.917  -0.129   0.759  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.613  -0.827   1.152  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.520   0.091   1.103  1.00  0.00           O  
HETATM   37  C   UNL     1      -3.353  -2.014   0.248  1.00  0.00           C  
HETATM   38  O   UNL     1      -3.192  -1.982  -0.954  1.00  0.00           O  
HETATM   39  N   UNL     1      -3.335  -3.108   1.027  1.00  0.00           N  
HETATM   40  C   UNL     1      -3.555  -2.804   2.371  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.615  -3.627   3.494  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.848  -3.083   4.740  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.024  -1.719   4.885  1.00  0.00           C  
HETATM   44  C   UNL     1      -3.966  -0.895   3.775  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.733  -1.436   2.530  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.138   0.947  -1.112  1.00  0.00           C  
HETATM   47  O   UNL     1      -6.210   2.107  -1.456  1.00  0.00           O  
HETATM   48  N   UNL     1      -7.242   0.174  -1.112  1.00  0.00           N  
HETATM   49  C   UNL     1      -8.530   0.735  -1.528  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.594  -0.327  -1.438  1.00  0.00           C  
HETATM   51  C   UNL     1     -10.307  -0.493  -0.266  1.00  0.00           C  
HETATM   52  C   UNL     1     -11.284  -1.469  -0.183  1.00  0.00           C  
HETATM   53  C   UNL     1     -11.547  -2.277  -1.273  1.00  0.00           C  
HETATM   54  C   UNL     1     -10.835  -2.110  -2.446  1.00  0.00           C  
HETATM   55  C   UNL     1      -9.861  -1.132  -2.530  1.00  0.00           C  
HETATM   56  H   UNL     1       5.855   3.531   2.381  1.00  0.00           H  
HETATM   57  H   UNL     1       5.007   4.657   3.468  1.00  0.00           H  
HETATM   58  H   UNL     1       4.107   3.350   2.663  1.00  0.00           H  
HETATM   59  H   UNL     1       5.573   6.657   0.380  1.00  0.00           H  
HETATM   60  H   UNL     1       5.863   6.589   2.134  1.00  0.00           H  
HETATM   61  H   UNL     1       6.711   5.463   1.047  1.00  0.00           H  
HETATM   62  H   UNL     1       2.509   5.026   1.726  1.00  0.00           H  
HETATM   63  H   UNL     1       3.410   6.334   2.531  1.00  0.00           H  
HETATM   64  H   UNL     1       3.119   6.403   0.776  1.00  0.00           H  
HETATM   65  H   UNL     1       2.377   0.956  -1.960  1.00  0.00           H  
HETATM   66  H   UNL     1       3.978   2.622  -1.735  1.00  0.00           H  
HETATM   67  H   UNL     1       2.649   0.995   1.079  1.00  0.00           H  
HETATM   68  H   UNL     1       1.761  -0.244   0.160  1.00  0.00           H  
HETATM   69  H   UNL     1       2.941  -1.825  -1.255  1.00  0.00           H  
HETATM   70  H   UNL     1       5.045  -3.037  -1.663  1.00  0.00           H  
HETATM   71  H   UNL     1       7.174  -0.072   0.560  1.00  0.00           H  
HETATM   72  H   UNL     1       5.068   1.138   0.955  1.00  0.00           H  
HETATM   73  H   UNL     1       8.748  -0.735  -0.653  1.00  0.00           H  
HETATM   74  H   UNL     1       8.496  -1.672   0.839  1.00  0.00           H  
HETATM   75  H   UNL     1       9.585  -3.822   1.154  1.00  0.00           H  
HETATM   76  H   UNL     1      11.514  -5.244   0.585  1.00  0.00           H  
HETATM   77  H   UNL     1      12.785  -4.825  -1.481  1.00  0.00           H  
HETATM   78  H   UNL     1      12.128  -2.985  -2.980  1.00  0.00           H  
HETATM   79  H   UNL     1      10.194  -1.569  -2.416  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.053   0.596  -1.600  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.421   2.703  -0.111  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.688   3.498  -2.088  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.944   3.795  -2.285  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.717   2.437  -3.137  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.552  -0.464  -1.338  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.090   0.717   1.423  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.745  -0.832   0.842  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.668  -0.298   1.343  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.187  -4.007   0.693  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.478  -4.693   3.388  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.893  -3.726   5.606  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.206  -1.298   5.863  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.102   0.171   3.885  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.022   2.339  -0.711  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.184  -0.755  -0.837  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.791   1.568  -0.875  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.456   1.090  -2.556  1.00  0.00           H  
HETATM   98  H   UNL     1     -10.102   0.138   0.586  1.00  0.00           H  
HETATM   99  H   UNL     1     -11.841  -1.599   0.733  1.00  0.00           H  
HETATM  100  H   UNL     1     -12.310  -3.039  -1.209  1.00  0.00           H  
HETATM  101  H   UNL     1     -11.040  -2.742  -3.297  1.00  0.00           H  
HETATM  102  H   UNL     1      -9.307  -1.000  -3.447  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   11                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    6    7                                       
CONECT    5    4   56   57   58                                       
CONECT    6    4   59   60   61                                       
CONECT    7    4   62   63   64                                       
CONECT    8    9    9                                                 
CONECT    9    8    8   10   27                                       
CONECT   10    9   12   11   65                                       
CONECT   11   10   66    2                                            
CONECT   12   10   13   67   68                                       
CONECT   13   12   18   18   14                                       
CONECT   14   13   15   15   69                                       
CONECT   15   14   14   16   70                                       
CONECT   16   15   17   17   19                                       
CONECT   17   16   16   18   71                                       
CONECT   18   13   13   17   72                                       
CONECT   19   16   20                                                 
CONECT   20   19   21   73   74                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   75                                       
CONECT   23   22   24   24   76                                       
CONECT   24   23   23   25   77                                       
CONECT   25   24   26   26   78                                       
CONECT   26   21   25   25   79                                       
CONECT   27   28   80    9                                            
CONECT   28   27   29   31   81                                       
CONECT   29   28   30   30   32                                       
CONECT   30   29   29                                                 
CONECT   31   28   82   83   84                                       
CONECT   32   33   94   29                                            
CONECT   33   32   46   34   85                                       
CONECT   34   33   35   86   87                                       
CONECT   35   34   36   45   37                                       
CONECT   36   35   88                                                 
CONECT   37   35   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40   89                                            
CONECT   40   39   45   45   41                                       
CONECT   41   40   42   42   90                                       
CONECT   42   41   41   43   91                                       
CONECT   43   42   44   44   92                                       
CONECT   44   43   43   45   93                                       
CONECT   45   35   40   40   44                                       
CONECT   46   33   47   47   48                                       
CONECT   47   46   46                                                 
CONECT   48   49   95   46                                            
CONECT   49   48   50   96   97                                       
CONECT   50   49   51   51   55                                       
CONECT   51   50   50   52   98                                       
CONECT   52   51   53   53   99                                       
CONECT   53   52   52   54  100                                       
CONECT   54   53   55   55  101                                       
CONECT   55   50   54   54  102                                       
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   12                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   31                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   36                                                      
CONECT   89   39                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   44                                                      
CONECT   94   32                                                      
CONECT   95   48                                                      
CONECT   96   49                                                      
CONECT   97   49                                                      
CONECT   98   51                                                      
CONECT   99   52                                                      
CONECT  100   53                                                      
CONECT  101   54                                                      
CONECT  102   55                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
