COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.031   2.214  -0.643  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.016   2.258   2.638  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.312  -1.873  -1.266  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.361  -3.241  -0.583  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.821  -2.256   1.046  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.787  -4.375   1.488  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.462  -2.375   1.466  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.458   1.849   0.140  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.336   0.946  -0.302  1.00  0.00           C  
HETATM   10  C   UNL     1       0.002   1.533   0.153  1.00  0.00           C  
HETATM   11  C   UNL     1       1.141   0.616  -0.296  1.00  0.00           C  
HETATM   12  C   UNL     1       2.478   1.203   0.159  1.00  0.00           C  
HETATM   13  C   UNL     1       3.617   0.286  -0.290  1.00  0.00           C  
HETATM   14  C   UNL     1       4.955   0.873   0.165  1.00  0.00           C  
HETATM   15  C   UNL     1       6.094  -0.044  -0.285  1.00  0.00           C  
HETATM   16  C   UNL     1       7.431   0.543   0.170  1.00  0.00           C  
HETATM   17  C   UNL     1       8.570  -0.374  -0.279  1.00  0.00           C  
HETATM   18  C   UNL     1       9.908   0.213   0.176  1.00  0.00           C  
HETATM   19  C   UNL     1      11.047  -0.704  -0.273  1.00  0.00           C  
HETATM   20  C   UNL     1      12.384  -0.117   0.182  1.00  0.00           C  
HETATM   21  C   UNL     1      13.524  -1.034  -0.267  1.00  0.00           C  
HETATM   22  C   UNL     1      14.861  -0.447   0.188  1.00  0.00           C  
HETATM   23  C   UNL     1      16.000  -1.364  -0.262  1.00  0.00           C  
HETATM   24  C   UNL     1      17.338  -0.776   0.193  1.00  0.00           C  
HETATM   25  C   UNL     1      18.477  -1.694  -0.256  1.00  0.00           C  
HETATM   26  N   UNL     1      -9.608  -3.062   0.854  1.00  0.00           N1+
HETATM   27  O   UNL     1      -5.654   0.703   1.777  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.212   2.863   0.759  1.00  0.00           O  
HETATM   29  O   UNL     1      -7.448   0.286  -2.886  1.00  0.00           O  
HETATM   30  O   UNL     1      -8.961   1.228  -1.098  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.535   0.885  -0.494  1.00  0.00           O  
HETATM   32  N   UNL     1      -3.735   1.530  -0.151  1.00  0.00           N  
HETATM   33  O   UNL     1      -8.169  -1.151  -0.805  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.825   2.409   0.279  1.00  0.00           C  
HETATM   35  P   UNL     1      -7.804   0.332  -1.316  1.00  0.00           P  
HETATM   36  C   UNL     1      -5.222   2.063   1.716  1.00  0.00           C  
HETATM   37  H   UNL     1      -5.726   2.374  -1.677  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.810   2.930  -0.379  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.496   3.447   0.233  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.687   3.296   2.592  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.299   2.012   3.662  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.205   1.604   2.318  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.033   2.717   2.036  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.245  -2.009  -2.346  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.216  -1.315  -1.026  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.163  -3.837  -1.018  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.409  -3.754  -0.726  1.00  0.00           H  
HETATM   48  H   UNL     1     -11.671  -2.765   0.592  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.004  -2.123   2.112  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.687  -1.281   0.576  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.887  -4.973   1.346  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.970  -4.242   2.554  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.637  -4.884   1.034  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.446  -1.335   1.141  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.552  -2.415   2.552  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.538  -2.866   1.160  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.469  -0.042   0.140  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.345   0.861  -1.389  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.931   0.720  -0.646  1.00  0.00           H  
HETATM   60  H   UNL     1       0.134   2.520  -0.289  1.00  0.00           H  
HETATM   61  H   UNL     1       0.010   1.617   1.240  1.00  0.00           H  
HETATM   62  H   UNL     1       1.008  -0.372   0.146  1.00  0.00           H  
HETATM   63  H   UNL     1       1.132   0.531  -1.383  1.00  0.00           H  
HETATM   64  H   UNL     1       2.611   2.190  -0.283  1.00  0.00           H  
HETATM   65  H   UNL     1       2.487   1.288   1.245  1.00  0.00           H  
HETATM   66  H   UNL     1       3.485  -0.702   0.152  1.00  0.00           H  
HETATM   67  H   UNL     1       3.609   0.201  -1.377  1.00  0.00           H  
HETATM   68  H   UNL     1       5.087   1.860  -0.278  1.00  0.00           H  
HETATM   69  H   UNL     1       4.963   0.958   1.251  1.00  0.00           H  
HETATM   70  H   UNL     1       5.961  -1.031   0.158  1.00  0.00           H  
HETATM   71  H   UNL     1       6.085  -0.129  -1.371  1.00  0.00           H  
HETATM   72  H   UNL     1       7.564   1.531  -0.272  1.00  0.00           H  
HETATM   73  H   UNL     1       7.440   0.628   1.257  1.00  0.00           H  
HETATM   74  H   UNL     1       8.438  -1.361   0.163  1.00  0.00           H  
HETATM   75  H   UNL     1       8.562  -0.459  -1.366  1.00  0.00           H  
HETATM   76  H   UNL     1      10.040   1.201  -0.266  1.00  0.00           H  
HETATM   77  H   UNL     1       9.917   0.298   1.263  1.00  0.00           H  
HETATM   78  H   UNL     1      10.915  -1.691   0.169  1.00  0.00           H  
HETATM   79  H   UNL     1      11.038  -0.789  -1.360  1.00  0.00           H  
HETATM   80  H   UNL     1      12.517   0.871  -0.260  1.00  0.00           H  
HETATM   81  H   UNL     1      12.393  -0.032   1.269  1.00  0.00           H  
HETATM   82  H   UNL     1      13.391  -2.021   0.175  1.00  0.00           H  
HETATM   83  H   UNL     1      13.515  -1.118  -1.354  1.00  0.00           H  
HETATM   84  H   UNL     1      14.994   0.541  -0.255  1.00  0.00           H  
HETATM   85  H   UNL     1      14.870  -0.362   1.274  1.00  0.00           H  
HETATM   86  H   UNL     1      15.868  -2.351   0.181  1.00  0.00           H  
HETATM   87  H   UNL     1      15.991  -1.448  -1.348  1.00  0.00           H  
HETATM   88  H   UNL     1      17.470   0.211  -0.249  1.00  0.00           H  
HETATM   89  H   UNL     1      17.346  -0.692   1.280  1.00  0.00           H  
HETATM   90  H   UNL     1      18.344  -2.681   0.186  1.00  0.00           H  
HETATM   91  H   UNL     1      18.468  -1.778  -1.343  1.00  0.00           H  
HETATM   92  H   UNL     1      19.430  -1.275   0.068  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.921   0.414   2.661  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.697  -0.284  -3.102  1.00  0.00           H  
CONECT    1   31   34   37   38                                       
CONECT    2   36   40   41   42                                       
CONECT    3    4   33   44   45                                       
CONECT    4    3   26   46   47                                       
CONECT    5   26   48   49   50                                       
CONECT    6   26   51   52   53                                       
CONECT    7   26   54   55   56                                       
CONECT    8    9   28   28   32                                       
CONECT    9    8   10   57   58                                       
CONECT   10    9   11   60   61                                       
CONECT   11   10   12   62   63                                       
CONECT   12   11   13   64   65                                       
CONECT   13   12   14   66   67                                       
CONECT   14   13   15   68   69                                       
CONECT   15   14   16   70   71                                       
CONECT   16   15   17   72   73                                       
CONECT   17   16   18   74   75                                       
CONECT   18   17   19   76   77                                       
CONECT   19   18   20   78   79                                       
CONECT   20   19   21   80   81                                       
CONECT   21   20   22   82   83                                       
CONECT   22   21   23   84   85                                       
CONECT   23   22   24   86   87                                       
CONECT   24   23   25   88   89                                       
CONECT   25   24   90   91   92                                       
CONECT   26    4    5    6    7                                       
CONECT   27   36   93                                                 
CONECT   28    8    8                                                 
CONECT   29   35   94                                                 
CONECT   30   35   35                                                 
CONECT   31    1   35                                                 
CONECT   32    8   34   59                                            
CONECT   33    3   35                                                 
CONECT   34    1   32   36   39                                       
CONECT   35   29   30   30   31                                       
CONECT   35   33                                                      
CONECT   36    2   27   34   43                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39   34                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43   36                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   32                                                      
CONECT   60   10                                                      
CONECT   61   10                                                      
CONECT   62   11                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   16                                                      
CONECT   73   16                                                      
CONECT   74   17                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   19                                                      
CONECT   80   20                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   23                                                      
CONECT   87   23                                                      
CONECT   88   24                                                      
CONECT   89   24                                                      
CONECT   90   25                                                      
CONECT   91   25                                                      
CONECT   92   25                                                      
CONECT   93   27                                                      
CONECT   94   29                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
