COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.284  -2.851   1.669  1.00  0.00           O  
HETATM    2  C   UNL     1       7.118  -1.647   1.709  1.00  0.00           C  
HETATM    3  N   UNL     1       8.180  -0.818   1.677  1.00  0.00           N  
HETATM    4  C   UNL     1       7.992   0.637   1.605  1.00  0.00           C  
HETATM    5  C   UNL     1       8.792   1.179   0.416  1.00  0.00           C  
HETATM    6  C   UNL     1      10.252   0.740   0.545  1.00  0.00           C  
HETATM    7  C   UNL     1      11.049   1.299  -0.605  1.00  0.00           C  
HETATM    8  C   UNL     1      10.710   0.971  -1.904  1.00  0.00           C  
HETATM    9  C   UNL     1      11.441   1.485  -2.959  1.00  0.00           C  
HETATM   10  C   UNL     1      12.510   2.327  -2.715  1.00  0.00           C  
HETATM   11  C   UNL     1      12.848   2.655  -1.415  1.00  0.00           C  
HETATM   12  C   UNL     1      14.014   3.572  -1.149  1.00  0.00           C  
HETATM   13  N   UNL     1      13.545   4.964  -1.118  1.00  0.00           N  
HETATM   14  C   UNL     1      12.114   2.145  -0.360  1.00  0.00           C  
HETATM   15  C   UNL     1      10.330  -0.789   0.524  1.00  0.00           C  
HETATM   16  C   UNL     1       9.548  -1.353   1.720  1.00  0.00           C  
HETATM   17  C   UNL     1       5.749  -1.092   1.788  1.00  0.00           C  
HETATM   18  C   UNL     1       5.513   0.090   2.491  1.00  0.00           C  
HETATM   19  C   UNL     1       4.235   0.609   2.564  1.00  0.00           C  
HETATM   20  C   UNL     1       3.185  -0.039   1.943  1.00  0.00           C  
HETATM   21  C   UNL     1       4.693  -1.746   1.155  1.00  0.00           C  
HETATM   22  C   UNL     1       3.408  -1.220   1.237  1.00  0.00           C  
HETATM   23  C   UNL     1       2.279  -1.911   0.567  1.00  0.00           C  
HETATM   24  C   UNL     1       2.501  -3.089  -0.143  1.00  0.00           C  
HETATM   25  C   UNL     1       1.446  -3.730  -0.760  1.00  0.00           C  
HETATM   26  C   UNL     1       0.169  -3.204  -0.675  1.00  0.00           C  
HETATM   27  C   UNL     1       0.990  -1.385   0.648  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.057  -2.034   0.027  1.00  0.00           C  
HETATM   29  B   UNL     1      -1.496  -1.449   0.117  1.00  0.00           B1-
HETATM   30  O   UNL     1      -1.662  -0.776   1.296  1.00  0.00           O  
HETATM   31  O   UNL     1      -2.427  -2.457   0.009  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.505  -1.905  -0.618  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.824  -2.288  -0.731  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.735  -0.610  -0.947  1.00  0.00           O  
HETATM   35  C   UNL     1      -3.063  -0.727  -1.227  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.948   0.059  -1.946  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.269  -0.318  -2.063  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.717  -1.494  -1.457  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.131  -1.899  -1.584  1.00  0.00           C  
HETATM   40  O   UNL     1      -7.424  -3.078  -1.629  1.00  0.00           O  
HETATM   41  N   UNL     1      -8.097  -0.961  -1.649  1.00  0.00           N  
HETATM   42  C   UNL     1      -7.772   0.461  -1.477  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.667   1.042  -0.377  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.494  -1.342  -1.900  1.00  0.00           C  
HETATM   45  C   UNL     1     -10.373  -0.745  -0.796  1.00  0.00           C  
HETATM   46  C   UNL     1     -10.133   0.769  -0.721  1.00  0.00           C  
HETATM   47  C   UNL     1     -11.021   1.366   0.340  1.00  0.00           C  
HETATM   48  C   UNL     1     -11.947   2.335   0.002  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.913   0.940   1.651  1.00  0.00           C  
HETATM   50  C   UNL     1     -11.732   1.483   2.624  1.00  0.00           C  
HETATM   51  C   UNL     1     -12.658   2.452   2.285  1.00  0.00           C  
HETATM   52  C   UNL     1     -12.761   2.883   0.976  1.00  0.00           C  
HETATM   53  C   UNL     1     -13.770   3.940   0.607  1.00  0.00           C  
HETATM   54  N   UNL     1     -13.158   5.268   0.737  1.00  0.00           N  
HETATM   55  H   UNL     1       6.935   0.863   1.467  1.00  0.00           H  
HETATM   56  H   UNL     1       8.349   1.098   2.526  1.00  0.00           H  
HETATM   57  H   UNL     1       8.375   0.787  -0.512  1.00  0.00           H  
HETATM   58  H   UNL     1       8.739   2.268   0.407  1.00  0.00           H  
HETATM   59  H   UNL     1      10.661   1.111   1.485  1.00  0.00           H  
HETATM   60  H   UNL     1       9.875   0.314  -2.095  1.00  0.00           H  
HETATM   61  H   UNL     1      11.177   1.228  -3.975  1.00  0.00           H  
HETATM   62  H   UNL     1      13.082   2.727  -3.539  1.00  0.00           H  
HETATM   63  H   UNL     1      14.463   3.319  -0.188  1.00  0.00           H  
HETATM   64  H   UNL     1      14.756   3.456  -1.939  1.00  0.00           H  
HETATM   65  H   UNL     1      12.810   5.083  -0.437  1.00  0.00           H  
HETATM   66  H   UNL     1      14.308   5.599  -0.940  1.00  0.00           H  
HETATM   67  H   UNL     1      12.376   2.405   0.655  1.00  0.00           H  
HETATM   68  H   UNL     1       9.899  -1.162  -0.405  1.00  0.00           H  
HETATM   69  H   UNL     1      11.373  -1.100   0.592  1.00  0.00           H  
HETATM   70  H   UNL     1      10.029  -1.051   2.650  1.00  0.00           H  
HETATM   71  H   UNL     1       9.517  -2.440   1.658  1.00  0.00           H  
HETATM   72  H   UNL     1       6.330   0.600   2.978  1.00  0.00           H  
HETATM   73  H   UNL     1       4.056   1.523   3.109  1.00  0.00           H  
HETATM   74  H   UNL     1       2.187   0.371   2.004  1.00  0.00           H  
HETATM   75  H   UNL     1       4.871  -2.659   0.606  1.00  0.00           H  
HETATM   76  H   UNL     1       3.497  -3.500  -0.209  1.00  0.00           H  
HETATM   77  H   UNL     1       1.617  -4.643  -1.310  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.654  -3.709  -1.160  1.00  0.00           H  
HETATM   79  H   UNL     1       0.812  -0.475   1.201  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.166  -3.198  -0.261  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.603   0.969  -2.415  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.958   0.296  -2.624  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.726   0.565  -1.190  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.948   0.992  -2.413  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.423   0.572   0.576  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.503   2.117  -0.306  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.810  -0.954  -2.868  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.583  -2.428  -1.894  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.422  -0.938  -1.022  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.116  -1.201   0.160  1.00  0.00           H  
HETATM   91  H   UNL     1     -10.365   1.222  -1.685  1.00  0.00           H  
HETATM   92  H   UNL     1     -12.034   2.664  -1.023  1.00  0.00           H  
HETATM   93  H   UNL     1     -10.190   0.183   1.915  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.651   1.147   3.647  1.00  0.00           H  
HETATM   95  H   UNL     1     -13.297   2.877   3.045  1.00  0.00           H  
HETATM   96  H   UNL     1     -14.095   3.788  -0.423  1.00  0.00           H  
HETATM   97  H   UNL     1     -14.630   3.869   1.273  1.00  0.00           H  
HETATM   98  H   UNL     1     -12.321   5.337   0.178  1.00  0.00           H  
HETATM   99  H   UNL     1     -13.815   5.995   0.495  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.541  -0.389   1.407  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   17    3                                       
CONECT    3    2   16    4                                            
CONECT    4    3    5   55   56                                       
CONECT    5    4    6   57   58                                       
CONECT    6   15    5    7   59                                       
CONECT    7    6   14   14    8                                       
CONECT    8    7    9    9   60                                       
CONECT    9    8    8   10   61                                       
CONECT   10   11   11    9   62                                       
CONECT   11   14   12   10   10                                       
CONECT   12   13   11   63   64                                       
CONECT   13   12   65   66                                            
CONECT   14    7    7   11   67                                       
CONECT   15   16    6   68   69                                       
CONECT   16    3   15   70   71                                       
CONECT   17   21    2   18   18                                       
CONECT   18   17   17   19   72                                       
CONECT   19   20   20   18   73                                       
CONECT   20   22   19   19   74                                       
CONECT   21   22   22   17   75                                       
CONECT   22   23   21   21   20                                       
CONECT   23   24   24   27   22                                       
CONECT   24   25   23   23   76                                       
CONECT   25   26   26   24   77                                       
CONECT   26   25   25   28   78                                       
CONECT   27   28   28   23   79                                       
CONECT   28   26   29   27   27                                       
CONECT   29   31   28   34   30                                       
CONECT   30   29  100                                                 
CONECT   31   32   29                                                 
CONECT   32   33   31   35   35                                       
CONECT   33   38   38   32   80                                       
CONECT   34   35   29                                                 
CONECT   35   32   32   36   34                                       
CONECT   36   37   37   35   81                                       
CONECT   37   38   36   36   82                                       
CONECT   38   39   33   33   37                                       
CONECT   39   41   40   40   38                                       
CONECT   40   39   39                                                 
CONECT   41   44   42   39                                            
CONECT   42   43   41   83   84                                       
CONECT   43   46   42   85   86                                       
CONECT   44   45   41   87   88                                       
CONECT   45   46   44   89   90                                       
CONECT   46   47   45   43   91                                       
CONECT   47   49   49   48   46                                       
CONECT   48   52   52   47   92                                       
CONECT   49   50   47   47   93                                       
CONECT   50   51   51   49   94                                       
CONECT   51   50   50   52   95                                       
CONECT   52   51   53   48   48                                       
CONECT   53   54   52   96   97                                       
CONECT   54   53   98   99                                            
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   33                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   42                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   43                                                      
CONECT   87   44                                                      
CONECT   88   44                                                      
CONECT   89   45                                                      
CONECT   90   45                                                      
CONECT   91   46                                                      
CONECT   92   48                                                      
CONECT   93   49                                                      
CONECT   94   50                                                      
CONECT   95   51                                                      
CONECT   96   53                                                      
CONECT   97   53                                                      
CONECT   98   54                                                      
CONECT   99   54                                                      
CONECT  100   30                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
