COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -9.548   0.376  -0.474  1.00  0.00           N  
HETATM    2  C   UNL     1      -8.310  -0.102   0.146  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.130   0.577  -0.501  1.00  0.00           C  
HETATM    4  O   UNL     1      -7.306   1.382  -1.391  1.00  0.00           O  
HETATM    5  C   UNL     1      -8.329   0.222   1.641  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.517   1.705   1.831  1.00  0.00           C  
HETATM    7  O   UNL     1      -8.533   2.443   0.868  1.00  0.00           O  
HETATM    8  N   UNL     1      -8.667   2.212   3.070  1.00  0.00           N  
HETATM    9  C   UNL     1     -14.747  -1.773   0.753  1.00  0.00           C  
HETATM   10  C   UNL     1     -13.739  -0.845   0.537  1.00  0.00           C  
HETATM   11  C   UNL     1     -15.087  -2.668  -0.249  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.075  -0.815  -0.681  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.975   0.189  -0.914  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.677  -0.354  -0.376  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.732   0.951  -0.718  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.438   0.452  -0.071  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.241   1.142  -0.727  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.947   0.642  -0.081  1.00  0.00           C  
HETATM   19  C   UNL     1       0.250   1.332  -0.737  1.00  0.00           C  
HETATM   20  C   UNL     1       2.666   1.495  -0.722  1.00  0.00           C  
HETATM   21  C   UNL     1       3.938   0.971  -0.051  1.00  0.00           C  
HETATM   22  C   UNL     1       5.160   1.640  -0.682  1.00  0.00           C  
HETATM   23  C   UNL     1       7.578   1.760  -0.620  1.00  0.00           C  
HETATM   24  C   UNL     1       8.826   1.212   0.075  1.00  0.00           C  
HETATM   25  C   UNL     1      10.073   1.860  -0.531  1.00  0.00           C  
HETATM   26  C   UNL     1      12.490   1.766  -0.237  1.00  0.00           C  
HETATM   27  C   UNL     1      13.719   1.227   0.447  1.00  0.00           C  
HETATM   28  C   UNL     1      14.067  -0.144  -0.135  1.00  0.00           C  
HETATM   29  C   UNL     1      15.239  -0.746   0.644  1.00  0.00           C  
HETATM   30  C   UNL     1      15.587  -2.117   0.062  1.00  0.00           C  
HETATM   31  C   UNL     1      17.200  -3.931   0.462  1.00  0.00           C  
HETATM   32  C   UNL     1     -14.424  -2.631  -1.467  1.00  0.00           C  
HETATM   33  C   UNL     1     -13.416  -1.709  -1.678  1.00  0.00           C  
HETATM   34  N   UNL     1      18.198  -4.444   1.125  1.00  0.00           N  
HETATM   35  N   UNL     1      -5.879   0.291  -0.090  1.00  0.00           N  
HETATM   36  N   UNL     1       1.492   0.853  -0.116  1.00  0.00           N  
HETATM   37  N   UNL     1       6.381   1.138  -0.038  1.00  0.00           N  
HETATM   38  N   UNL     1      11.268   1.336   0.134  1.00  0.00           N  
HETATM   39  N   UNL     1      16.709  -2.694   0.807  1.00  0.00           N  
HETATM   40  N   UNL     1      16.639  -4.627  -0.582  1.00  0.00           N  
HETATM   41  N   UNL     1      14.842   2.150   0.234  1.00  0.00           N  
HETATM   42  O   UNL     1     -13.403   0.035   1.517  1.00  0.00           O  
HETATM   43  O   UNL     1     -10.647  -1.449   0.146  1.00  0.00           O  
HETATM   44  O   UNL     1      12.599   2.588  -1.123  1.00  0.00           O  
HETATM   45  O   UNL     1     -16.070  -3.583  -0.038  1.00  0.00           O  
HETATM   46  H   UNL     1      -9.557   1.221  -0.951  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.228  -1.180   0.009  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.150  -0.312   2.118  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.385  -0.085   2.091  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.655   1.622   3.840  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.788   3.167   3.193  1.00  0.00           H  
HETATM   52  H   UNL     1     -15.262  -1.800   1.702  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.875   0.376  -1.983  1.00  0.00           H  
HETATM   54  H   UNL     1     -12.219   1.120  -0.403  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.814   2.030  -0.581  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.718   0.720  -1.783  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.452   0.683   0.994  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.357  -0.626  -0.208  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.227   0.911  -1.793  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.323   2.220  -0.590  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.961   0.873   0.985  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.865  -0.436  -0.218  1.00  0.00           H  
HETATM   63  H   UNL     1       0.264   1.101  -1.802  1.00  0.00           H  
HETATM   64  H   UNL     1       0.169   2.411  -0.600  1.00  0.00           H  
HETATM   65  H   UNL     1       2.601   2.574  -0.585  1.00  0.00           H  
HETATM   66  H   UNL     1       2.697   1.265  -1.787  1.00  0.00           H  
HETATM   67  H   UNL     1       3.907   1.201   1.014  1.00  0.00           H  
HETATM   68  H   UNL     1       4.003  -0.108  -0.188  1.00  0.00           H  
HETATM   69  H   UNL     1       5.190   1.410  -1.747  1.00  0.00           H  
HETATM   70  H   UNL     1       5.095   2.720  -0.545  1.00  0.00           H  
HETATM   71  H   UNL     1       7.529   2.840  -0.483  1.00  0.00           H  
HETATM   72  H   UNL     1       7.625   1.530  -1.685  1.00  0.00           H  
HETATM   73  H   UNL     1       8.779   1.441   1.140  1.00  0.00           H  
HETATM   74  H   UNL     1       8.874   0.132  -0.062  1.00  0.00           H  
HETATM   75  H   UNL     1      10.120   1.631  -1.596  1.00  0.00           H  
HETATM   76  H   UNL     1      10.024   2.940  -0.394  1.00  0.00           H  
HETATM   77  H   UNL     1      13.527   1.130   1.516  1.00  0.00           H  
HETATM   78  H   UNL     1      13.202  -0.802  -0.056  1.00  0.00           H  
HETATM   79  H   UNL     1      14.346  -0.034  -1.183  1.00  0.00           H  
HETATM   80  H   UNL     1      16.104  -0.088   0.565  1.00  0.00           H  
HETATM   81  H   UNL     1      14.960  -0.856   1.692  1.00  0.00           H  
HETATM   82  H   UNL     1      14.722  -2.776   0.140  1.00  0.00           H  
HETATM   83  H   UNL     1      15.865  -2.007  -0.987  1.00  0.00           H  
HETATM   84  H   UNL     1     -14.689  -3.329  -2.247  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.897  -1.684  -2.625  1.00  0.00           H  
HETATM   86  H   UNL     1      18.594  -3.953   1.862  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.738  -0.352   0.623  1.00  0.00           H  
HETATM   88  H   UNL     1       1.560  -0.152  -0.173  1.00  0.00           H  
HETATM   89  H   UNL     1       6.432   0.132  -0.095  1.00  0.00           H  
HETATM   90  H   UNL     1      11.180   0.679   0.843  1.00  0.00           H  
HETATM   91  H   UNL     1      17.105  -2.203   1.544  1.00  0.00           H  
HETATM   92  H   UNL     1      15.896  -4.245  -1.076  1.00  0.00           H  
HETATM   93  H   UNL     1      16.985  -5.499  -0.826  1.00  0.00           H  
HETATM   94  H   UNL     1      15.040   2.256  -0.750  1.00  0.00           H  
HETATM   95  H   UNL     1      14.664   3.044   0.665  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.711  -0.285   2.112  1.00  0.00           H  
HETATM   97  H   UNL     1     -16.953  -3.275  -0.285  1.00  0.00           H  
CONECT    1    2   14   46                                            
CONECT    2    3    5    1   47                                       
CONECT    3   35    4    4    2                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   48   49                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   50   51                                            
CONECT    9   10   10   11   52                                       
CONECT   10   12   42    9    9                                       
CONECT   11   32   32    9   45                                       
CONECT   12   13   33   33   10                                       
CONECT   13   14   12   53   54                                       
CONECT   14    1   43   43   13                                       
CONECT   15   16   35   55   56                                       
CONECT   16   17   15   57   58                                       
CONECT   17   18   16   59   60                                       
CONECT   18   19   17   61   62                                       
CONECT   19   36   18   63   64                                       
CONECT   20   21   36   65   66                                       
CONECT   21   22   20   67   68                                       
CONECT   22   37   21   69   70                                       
CONECT   23   24   37   71   72                                       
CONECT   24   25   23   73   74                                       
CONECT   25   38   24   75   76                                       
CONECT   26   27   44   44   38                                       
CONECT   27   28   41   26   77                                       
CONECT   28   29   27   78   79                                       
CONECT   29   30   28   80   81                                       
CONECT   30   39   29   82   83                                       
CONECT   31   34   34   40   39                                       
CONECT   32   33   11   11   84                                       
CONECT   33   12   12   32   85                                       
CONECT   34   31   31   86                                            
CONECT   35   15    3   87                                            
CONECT   36   20   19   88                                            
CONECT   37   23   22   89                                            
CONECT   38   26   25   90                                            
CONECT   39   31   30   91                                            
CONECT   40   31   92   93                                            
CONECT   41   27   94   95                                            
CONECT   42   10   96                                                 
CONECT   43   14   14                                                 
CONECT   44   26   26                                                 
CONECT   45   11   97                                                 
CONECT   46    1                                                      
CONECT   47    2                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   40                                                      
CONECT   94   41                                                      
CONECT   95   41                                                      
CONECT   96   42                                                      
CONECT   97   45                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
