COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.228   8.183   2.174  1.00  0.00           O  
HETATM    2  N   UNL     1       3.291   5.646   1.145  1.00  0.00           N  
HETATM    3  C   UNL     1       4.871   7.512   1.089  1.00  0.00           C  
HETATM    4  CA  UNL     1       4.709   5.999   1.256  1.00  0.00           C  
HETATM    5  C   UNL     1       5.234   5.579   2.630  1.00  0.00           C  
HETATM    6  O   UNL     1       4.493   6.253   3.650  1.00  0.00           O  
HETATM    7  C   UNL     1       5.074   4.089   2.795  1.00  0.00           C  
HETATM    8  C   UNL     1       6.126   3.336   3.001  1.00  0.00           C  
HETATM    9  C   UNL     1       5.966   1.847   3.165  1.00  0.00           C  
HETATM   10  C   UNL     1       6.856   1.123   2.153  1.00  0.00           C  
HETATM   11  C   UNL     1       6.694  -0.389   2.320  1.00  0.00           C  
HETATM   12  C   UNL     1       7.584  -1.112   1.308  1.00  0.00           C  
HETATM   13  C   UNL     1       7.421  -2.624   1.474  1.00  0.00           C  
HETATM   14  C   UNL     1       8.312  -3.348   0.462  1.00  0.00           C  
HETATM   15  C   UNL     1       8.149  -4.860   0.629  1.00  0.00           C  
HETATM   16  C   UNL     1       9.040  -5.583  -0.383  1.00  0.00           C  
HETATM   17  C   UNL     1       8.877  -7.095  -0.216  1.00  0.00           C  
HETATM   18  C   UNL     1       9.768  -7.819  -1.228  1.00  0.00           C  
HETATM   19  O   UNL     1       3.419   5.549  -1.068  1.00  0.00           O  
HETATM   20  C   UNL     1       2.741   5.440  -0.068  1.00  0.00           C  
HETATM   21  C   UNL     1       1.283   5.076  -0.182  1.00  0.00           C  
HETATM   22  C   UNL     1       0.915   4.901  -1.656  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.566   4.531  -1.772  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.934   4.356  -3.246  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.414   3.986  -3.362  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.776   3.813  -4.814  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.372   2.717  -5.215  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.847   1.706  -4.205  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.329   1.407  -4.439  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.812   0.380  -3.413  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.294   0.082  -3.648  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.776  -0.946  -2.622  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.258  -1.244  -2.857  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.733  -2.256  -1.847  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.781  -1.984  -1.076  1.00  0.00           C  
HETATM   36  C   UNL     1     -11.245  -2.972  -0.090  1.00  0.00           C  
HETATM   37  C   UNL     1     -12.293  -2.700   0.681  1.00  0.00           C  
HETATM   38  C   UNL     1     -12.813  -3.066   3.077  1.00  0.00           C  
HETATM   39  C   UNL     1     -13.295  -4.094   4.103  1.00  0.00           C  
HETATM   40  C   UNL     1     -12.768  -3.712   1.691  1.00  0.00           C  
HETATM   41  H   UNL     1       4.291   9.147   2.134  1.00  0.00           H  
HETATM   42  H   UNL     1       2.749   5.559   1.945  1.00  0.00           H  
HETATM   43  H1  UNL     1       4.417   7.824   0.149  1.00  0.00           H  
HETATM   44  H2  UNL     1       5.931   7.765   1.082  1.00  0.00           H  
HETATM   45  HA  UNL     1       5.273   5.485   0.478  1.00  0.00           H  
HETATM   46  H   UNL     1       6.288   5.842   2.712  1.00  0.00           H  
HETATM   47  H   UNL     1       3.545   6.065   3.637  1.00  0.00           H  
HETATM   48  H   UNL     1       4.092   3.643   2.742  1.00  0.00           H  
HETATM   49  H   UNL     1       7.108   3.783   3.053  1.00  0.00           H  
HETATM   50  H   UNL     1       6.256   1.560   4.176  1.00  0.00           H  
HETATM   51  H   UNL     1       4.924   1.572   2.995  1.00  0.00           H  
HETATM   52  H   UNL     1       6.565   1.411   1.143  1.00  0.00           H  
HETATM   53  H   UNL     1       7.897   1.398   2.323  1.00  0.00           H  
HETATM   54  H   UNL     1       6.984  -0.676   3.330  1.00  0.00           H  
HETATM   55  H   UNL     1       5.653  -0.663   2.149  1.00  0.00           H  
HETATM   56  H   UNL     1       7.293  -0.825   0.297  1.00  0.00           H  
HETATM   57  H   UNL     1       8.625  -0.837   1.478  1.00  0.00           H  
HETATM   58  H   UNL     1       7.712  -2.911   2.485  1.00  0.00           H  
HETATM   59  H   UNL     1       6.380  -2.899   1.304  1.00  0.00           H  
HETATM   60  H   UNL     1       8.021  -3.060  -0.548  1.00  0.00           H  
HETATM   61  H   UNL     1       9.353  -3.073   0.632  1.00  0.00           H  
HETATM   62  H   UNL     1       8.440  -5.147   1.640  1.00  0.00           H  
HETATM   63  H   UNL     1       7.108  -5.134   0.459  1.00  0.00           H  
HETATM   64  H   UNL     1       8.749  -5.296  -1.393  1.00  0.00           H  
HETATM   65  H   UNL     1      10.081  -5.309  -0.213  1.00  0.00           H  
HETATM   66  H   UNL     1       9.168  -7.383   0.794  1.00  0.00           H  
HETATM   67  H   UNL     1       7.836  -7.370  -0.386  1.00  0.00           H  
HETATM   68  H   UNL     1       9.477  -7.532  -2.239  1.00  0.00           H  
HETATM   69  H   UNL     1      10.809  -7.544  -1.058  1.00  0.00           H  
HETATM   70  H   UNL     1       1.099   4.144   0.352  1.00  0.00           H  
HETATM   71  H   UNL     1       0.675   5.870   0.253  1.00  0.00           H  
HETATM   72  H   UNL     1       1.099   5.833  -2.190  1.00  0.00           H  
HETATM   73  H   UNL     1       1.522   4.107  -2.091  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.750   3.599  -1.238  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.173   5.325  -1.337  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.749   5.288  -3.780  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.326   3.562  -3.681  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.598   3.054  -2.828  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.022   4.780  -2.928  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.546   4.593  -5.525  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.523   2.539  -6.270  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.270   0.787  -4.311  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.712   2.105  -3.199  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.906   2.326  -4.333  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.465   1.008  -5.445  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.235  -0.539  -3.520  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.676   0.779  -2.408  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.871   1.000  -3.542  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.429  -0.318  -4.654  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.199  -1.865  -2.729  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.641  -0.547  -1.617  1.00  0.00           H  
HETATM   92  H   UNL     1      -9.835  -0.326  -2.750  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.394  -1.643  -3.862  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.222  -3.202  -1.749  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.292  -1.038  -1.174  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.734  -3.918   0.008  1.00  0.00           H  
HETATM   97  H   UNL     1     -12.804  -1.754   0.583  1.00  0.00           H  
HETATM   98  H   UNL     1     -13.499  -2.219   3.061  1.00  0.00           H  
HETATM   99  H   UNL     1     -11.816  -2.721   3.350  1.00  0.00           H  
HETATM  100  H   UNL     1     -14.292  -4.439   3.831  1.00  0.00           H  
HETATM  101  H   UNL     1     -12.609  -4.941   4.120  1.00  0.00           H  
HETATM  102  C   UNL     1     -13.340  -3.447   5.490  1.00  0.00           C  
HETATM  103  H   UNL     1     -13.765  -4.057   1.419  1.00  0.00           H  
HETATM  104  H   UNL     1     -12.082  -4.559   1.707  1.00  0.00           H  
HETATM  105  C   UNL     1     -13.823  -4.475   6.516  1.00  0.00           C  
HETATM  106  C   UNL     1       9.605  -9.331  -1.061  1.00  0.00           C  
HETATM  107  C   UNL     1      10.496 -10.054  -2.074  1.00  0.00           C  
HETATM  108  C   UNL     1      10.333 -11.567  -1.907  1.00  0.00           C  
HETATM  109  H   UNL     1     -14.820  -4.820   6.243  1.00  0.00           H  
HETATM  110  H   UNL     1     -13.137  -5.322   6.532  1.00  0.00           H  
HETATM  111  H   UNL     1     -13.855  -4.015   7.503  1.00  0.00           H  
HETATM  112  H   UNL     1       9.896  -9.618  -0.051  1.00  0.00           H  
HETATM  113  H   UNL     1       8.564  -9.606  -1.232  1.00  0.00           H  
HETATM  114  H   UNL     1      10.205  -9.767  -3.084  1.00  0.00           H  
HETATM  115  H   UNL     1      11.537  -9.780  -1.903  1.00  0.00           H  
HETATM  116  H   UNL     1      10.624 -11.854  -0.896  1.00  0.00           H  
HETATM  117  H   UNL     1       9.292 -11.841  -2.077  1.00  0.00           H  
HETATM  118  H   UNL     1      10.967 -12.082  -2.628  1.00  0.00           H  
HETATM  119  H   UNL     1     -12.343  -3.102   5.762  1.00  0.00           H  
HETATM  120  H   UNL     1     -14.026  -2.601   5.474  1.00  0.00           H  
CONECT    1    3   41                                                 
CONECT    2    4   20   42                                            
CONECT    3    1    4   43   44                                       
CONECT    4    2    3    5   45                                       
CONECT    5    4    6    7   46                                       
CONECT    6    5   47                                                 
CONECT    7    5    8    8   48                                       
CONECT    8    7    7    9   49                                       
CONECT    9    8   10   50   51                                       
CONECT   10    9   11   52   53                                       
CONECT   11   10   12   54   55                                       
CONECT   12   11   13   56   57                                       
CONECT   13   12   14   58   59                                       
CONECT   14   13   15   60   61                                       
CONECT   15   14   16   62   63                                       
CONECT   16   15   17   64   65                                       
CONECT   17   16   18   66   67                                       
CONECT   18   17   68   69  106                                       
CONECT   19   20   20                                                 
CONECT   20    2   19   19   21                                       
CONECT   21   20   22   70   71                                       
CONECT   22   21   23   72   73                                       
CONECT   23   22   24   74   75                                       
CONECT   24   23   25   76   77                                       
CONECT   25   24   26   78   79                                       
CONECT   26   25   27   27   80                                       
CONECT   27   26   26   28   81                                       
CONECT   28   27   29   82   83                                       
CONECT   29   28   30   84   85                                       
CONECT   30   29   31   86   87                                       
CONECT   31   30   32   88   89                                       
CONECT   32   31   33   90   91                                       
CONECT   33   32   34   92   93                                       
CONECT   34   33   35   35   94                                       
CONECT   35   34   34   36   95                                       
CONECT   36   35   37   37   96                                       
CONECT   37   36   36   40   97                                       
CONECT   38   39   40   98   99                                       
CONECT   39   38  102  100  101                                       
CONECT   40   37   38  103  104                                       
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51    9                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   21                                                      
CONECT   71   21                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   23                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   30                                                      
CONECT   87   30                                                      
CONECT   88   31                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   32                                                      
CONECT   92   33                                                      
CONECT   93   33                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   38                                                      
CONECT  100   39                                                      
CONECT  101   39                                                      
CONECT  102   39  105  119  120                                       
CONECT  103   40                                                      
CONECT  104   40                                                      
CONECT  105  102  109  110  111                                       
CONECT  106   18  107  112  113                                       
CONECT  107  106  108  114  115                                       
CONECT  108  107  116  117  118                                       
CONECT  109  105                                                      
CONECT  110  105                                                      
CONECT  111  105                                                      
CONECT  112  106                                                      
CONECT  113  106                                                      
CONECT  114  107                                                      
CONECT  115  107                                                      
CONECT  116  108                                                      
CONECT  117  108                                                      
CONECT  118  108                                                      
CONECT  119  102                                                      
CONECT  120  102                                                      
MASTER        0    0    0    0    0    0    0    0  120    0  120    0
END
