COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.640  -1.484  -0.565  1.00  0.00           C  
HETATM    2  C   UNL     1       9.192  -2.529   0.154  1.00  0.00           C  
HETATM    3  C   UNL     1      10.381  -2.347   0.834  1.00  0.00           C  
HETATM    4  C   UNL     1      11.019  -1.122   0.795  1.00  0.00           C  
HETATM    5  C   UNL     1      10.468  -0.078   0.076  1.00  0.00           C  
HETATM    6  C   UNL     1       9.278  -0.259  -0.603  1.00  0.00           C  
HETATM    7  C   UNL     1       7.346  -1.684  -1.311  1.00  0.00           C  
HETATM    8  C   UNL     1       6.188  -1.343  -0.410  1.00  0.00           C  
HETATM    9  O   UNL     1       6.393  -0.974   0.728  1.00  0.00           O  
HETATM   10  N   UNL     1       4.924  -1.448  -0.867  1.00  0.00           N  
HETATM   11  C   UNL     1       3.798  -1.117   0.010  1.00  0.00           C  
HETATM   12  C   UNL     1       2.569  -1.857  -0.450  1.00  0.00           C  
HETATM   13  O   UNL     1       2.627  -2.589  -1.415  1.00  0.00           O  
HETATM   14  C   UNL     1       3.537   0.390  -0.043  1.00  0.00           C  
HETATM   15  C   UNL     1       4.738   1.137   0.540  1.00  0.00           C  
HETATM   16  C   UNL     1       4.476   2.644   0.487  1.00  0.00           C  
HETATM   17  N   UNL     1       5.626   3.359   1.046  1.00  0.00           N  
HETATM   18  C   UNL     1       5.619   4.726   1.103  1.00  0.00           C  
HETATM   19  N   UNL     1       4.567   5.406   0.651  1.00  0.00           N  
HETATM   20  N   UNL     1       6.665   5.376   1.611  1.00  0.00           N1+
HETATM   21  N   UNL     1       1.404  -1.705   0.211  1.00  0.00           N  
HETATM   22  C   UNL     1       0.209  -2.424  -0.236  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.022  -1.678   0.209  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.959  -0.905   1.141  1.00  0.00           O  
HETATM   25  C   UNL     1       0.202  -3.828   0.371  1.00  0.00           C  
HETATM   26  C   UNL     1       1.375  -4.633  -0.190  1.00  0.00           C  
HETATM   27  C   UNL     1       0.334  -3.727   1.892  1.00  0.00           C  
HETATM   28  N   UNL     1      -2.194  -1.870  -0.429  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.366  -1.070  -0.064  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.620  -1.826  -0.420  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.543  -2.925  -0.928  1.00  0.00           O  
HETATM   32  C   UNL     1      -3.336   0.256  -0.826  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.129   1.078  -0.372  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.099   2.404  -1.135  1.00  0.00           C  
HETATM   35  N   UNL     1      -0.942   3.192  -0.700  1.00  0.00           N  
HETATM   36  C   UNL     1      -0.709   4.423  -1.247  1.00  0.00           C  
HETATM   37  N   UNL     1      -1.532   4.907  -2.176  1.00  0.00           N  
HETATM   38  N   UNL     1       0.343   5.139  -0.852  1.00  0.00           N1+
HETATM   39  N   UNL     1      -5.828  -1.282  -0.173  1.00  0.00           N  
HETATM   40  C   UNL     1      -7.048  -2.017  -0.519  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.253  -1.194  -0.144  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.806  -1.319   1.118  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.910  -0.568   1.468  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.469   0.317   0.546  1.00  0.00           C  
HETATM   45  C   UNL     1     -11.653   1.125   0.915  1.00  0.00           C  
HETATM   46  N   UNL     1     -12.176   1.010   2.102  1.00  0.00           N  
HETATM   47  N   UNL     1     -12.203   1.998   0.002  1.00  0.00           N  
HETATM   48  C   UNL     1      -9.907   0.437  -0.725  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.800  -0.314  -1.061  1.00  0.00           C  
HETATM   50  H   UNL     1       8.693  -3.486   0.184  1.00  0.00           H  
HETATM   51  H   UNL     1      10.812  -3.163   1.396  1.00  0.00           H  
HETATM   52  H   UNL     1      11.948  -0.980   1.327  1.00  0.00           H  
HETATM   53  H   UNL     1      10.967   0.880   0.047  1.00  0.00           H  
HETATM   54  H   UNL     1       8.847   0.557  -1.164  1.00  0.00           H  
HETATM   55  H   UNL     1       7.328  -1.035  -2.187  1.00  0.00           H  
HETATM   56  H   UNL     1       7.266  -2.724  -1.628  1.00  0.00           H  
HETATM   57  H   UNL     1       4.760  -1.743  -1.776  1.00  0.00           H  
HETATM   58  H   UNL     1       4.036  -1.408   1.033  1.00  0.00           H  
HETATM   59  H   UNL     1       3.386   0.696  -1.079  1.00  0.00           H  
HETATM   60  H   UNL     1       2.645   0.625   0.538  1.00  0.00           H  
HETATM   61  H   UNL     1       4.888   0.831   1.576  1.00  0.00           H  
HETATM   62  H   UNL     1       5.629   0.902  -0.041  1.00  0.00           H  
HETATM   63  H   UNL     1       4.326   2.950  -0.548  1.00  0.00           H  
HETATM   64  H   UNL     1       3.585   2.878   1.068  1.00  0.00           H  
HETATM   65  H   UNL     1       6.392   2.864   1.375  1.00  0.00           H  
HETATM   66  H   UNL     1       3.806   4.932   0.281  1.00  0.00           H  
HETATM   67  H   UNL     1       4.562   6.375   0.691  1.00  0.00           H  
HETATM   68  H   UNL     1       7.431   4.881   1.940  1.00  0.00           H  
HETATM   69  H   UNL     1       6.660   6.345   1.651  1.00  0.00           H  
HETATM   70  H   UNL     1       1.357  -1.119   0.983  1.00  0.00           H  
HETATM   71  H   UNL     1       0.215  -2.499  -1.323  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.734  -4.328   0.121  1.00  0.00           H  
HETATM   73  H   UNL     1       2.311  -4.134   0.060  1.00  0.00           H  
HETATM   74  H   UNL     1       1.370  -5.633   0.243  1.00  0.00           H  
HETATM   75  H   UNL     1       1.281  -4.705  -1.274  1.00  0.00           H  
HETATM   76  H   UNL     1       1.230  -3.159   2.142  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.541  -3.222   2.300  1.00  0.00           H  
HETATM   78  H   UNL     1       0.408  -4.727   2.318  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.261  -2.537  -1.130  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.352  -0.873   1.008  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.261   0.059  -1.896  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.252   0.812  -0.623  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.204   1.275   0.697  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.213   0.522  -0.575  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.023   2.207  -2.204  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.014   2.961  -0.932  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.342   2.839  -0.024  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.298   4.385  -2.463  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.367   5.780  -2.564  1.00  0.00           H  
HETATM   90  H   UNL     1       0.509   6.012  -1.240  1.00  0.00           H  
HETATM   91  H   UNL     1       0.943   4.787  -0.176  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.890  -0.403   0.233  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.061  -2.213  -1.591  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.069  -2.961   0.024  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.373  -2.004   1.831  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.341  -0.666   2.453  1.00  0.00           H  
HETATM   97  H   UNL     1     -12.951   1.540   2.344  1.00  0.00           H  
HETATM   98  H   UNL     1     -11.814   2.084  -0.883  1.00  0.00           H  
HETATM   99  H   UNL     1     -12.979   2.528   0.243  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.335   1.121  -1.444  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.361  -0.218  -2.043  1.00  0.00           H  
CONECT    1    2    2    6    7                                       
CONECT    2    1    1    3   50                                       
CONECT    3    2    4    4   51                                       
CONECT    4    3    3    5   52                                       
CONECT    5    4    6    6   53                                       
CONECT    6    1    5    5   54                                       
CONECT    7    1    8   55   56                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10   11   57    8                                            
CONECT   11   10   12   14   58                                       
CONECT   12   11   13   13   21                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   59   60                                       
CONECT   15   14   16   61   62                                       
CONECT   16   15   17   63   64                                       
CONECT   17   16   18   65                                            
CONECT   18   17   19   20   20                                       
CONECT   19   18   66   67                                            
CONECT   20   18   18   68   69                                       
CONECT   21   22   70   12                                            
CONECT   22   21   23   25   71                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23                                                 
CONECT   25   22   26   27   72                                       
CONECT   26   25   73   74   75                                       
CONECT   27   25   76   77   78                                       
CONECT   28   29   79   23                                            
CONECT   29   28   30   32   80                                       
CONECT   30   29   31   31   39                                       
CONECT   31   30   30                                                 
CONECT   32   29   33   81   82                                       
CONECT   33   32   34   83   84                                       
CONECT   34   33   35   85   86                                       
CONECT   35   34   36   87                                            
CONECT   36   35   37   38   38                                       
CONECT   37   36   88   89                                            
CONECT   38   36   36   90   91                                       
CONECT   39   40   92   30                                            
CONECT   40   39   41   93   94                                       
CONECT   41   40   49   49   42                                       
CONECT   42   41   43   43   95                                       
CONECT   43   42   42   44   96                                       
CONECT   44   43   48   48   45                                       
CONECT   45   44   46   46   47                                       
CONECT   46   45   45   97                                            
CONECT   47   45   98   99                                            
CONECT   48   44   44   49  100                                       
CONECT   49   41   41   48  101                                       
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   37                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   38                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   42                                                      
CONECT   96   43                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
CONECT   99   47                                                      
CONECT  100   48                                                      
CONECT  101   49                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
