COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -12.354   0.845  -0.071  1.00  0.00           C  
HETATM    2  C   UNL     1       8.170  -1.115  -0.196  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.904   0.562  -0.468  1.00  0.00           C  
HETATM    4  C   UNL     1       6.727  -0.931   0.279  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.582  -0.911  -0.210  1.00  0.00           C  
HETATM    6  C   UNL     1       5.885  -2.126  -0.173  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.132  -1.194  -0.607  1.00  0.00           C  
HETATM    8  C   UNL     1       4.442  -1.942   0.302  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.811  -2.667  -0.349  1.00  0.00           C  
HETATM   10  C   UNL     1       3.600  -3.137  -0.150  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.360  -2.950  -0.746  1.00  0.00           C  
HETATM   12  C   UNL     1       2.157  -2.953   0.325  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.039  -4.423  -0.488  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.785  -5.233  -0.011  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.415  -2.979   0.973  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.415  -4.725   0.511  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.549  -5.240   1.946  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.106  -3.966   0.341  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.610  -4.702  -0.879  1.00  0.00           C  
HETATM   20  C   UNL     1     -12.676   2.319  -0.330  1.00  0.00           C  
HETATM   21  C   UNL     1       1.315  -4.147  -0.127  1.00  0.00           C  
HETATM   22  C   UNL     1       9.012   0.080   0.256  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.033  -4.902   0.056  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.357  -5.512  -0.403  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.091  -6.910  -0.272  1.00  0.00           O  
HETATM   26  H   UNL     1     -13.022   0.218  -0.662  1.00  0.00           H  
HETATM   27  H   UNL     1     -12.490   0.624   0.988  1.00  0.00           H  
HETATM   28  H   UNL     1       8.579  -2.030   0.231  1.00  0.00           H  
HETATM   29  H   UNL     1       8.188  -1.182  -1.284  1.00  0.00           H  
HETATM   30  H   UNL     1     -10.768   0.784  -1.527  1.00  0.00           H  
HETATM   31  H   UNL     1     -10.236   1.189   0.123  1.00  0.00           H  
HETATM   32  H   UNL     1       6.708  -0.864   1.367  1.00  0.00           H  
HETATM   33  H   UNL     1       6.318  -0.016  -0.148  1.00  0.00           H  
HETATM   34  H   UNL     1     -10.719  -1.132   0.849  1.00  0.00           H  
HETATM   35  H   UNL     1     -11.250  -1.538  -0.801  1.00  0.00           H  
HETATM   36  H   UNL     1       5.903  -2.193  -1.261  1.00  0.00           H  
HETATM   37  H   UNL     1       6.294  -3.041   0.254  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.996  -0.973  -1.666  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.465  -0.567  -0.016  1.00  0.00           H  
HETATM   40  H   UNL     1       4.423  -1.875   1.390  1.00  0.00           H  
HETATM   41  H   UNL     1       4.033  -1.026  -0.125  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.947  -2.888   0.710  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.478  -3.294  -0.940  1.00  0.00           H  
HETATM   44  H   UNL     1       3.619  -3.203  -1.238  1.00  0.00           H  
HETATM   45  H   UNL     1       4.009  -4.052   0.277  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.224  -2.729  -1.805  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.693  -2.323  -0.155  1.00  0.00           H  
HETATM   48  H   UNL     1       2.139  -2.886   1.413  1.00  0.00           H  
HETATM   49  H   UNL     1       1.748  -2.037  -0.102  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.175  -4.644   0.571  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.706  -5.050  -1.079  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.128  -5.472   0.984  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.676  -3.668   0.478  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.288  -6.297   1.978  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.878  -4.679   2.597  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.577  -5.109   2.284  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.267  -4.463  -1.875  1.00  0.00           H  
HETATM   58  H   UNL     1     -12.008   2.945   0.261  1.00  0.00           H  
HETATM   59  H   UNL     1     -12.539   2.540  -1.388  1.00  0.00           H  
HETATM   60  H   UNL     1       1.334  -4.214  -1.215  1.00  0.00           H  
HETATM   61  H   UNL     1       1.724  -5.063   0.300  1.00  0.00           H  
HETATM   62  H   UNL     1       8.602   0.995  -0.171  1.00  0.00           H  
HETATM   63  H   UNL     1       8.993   0.147   1.344  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.786  -5.691  -0.450  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.198  -5.207  -1.437  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.213  -7.251   0.625  1.00  0.00           H  
HETATM   67  C   UNL     1     -14.126   2.601   0.068  1.00  0.00           C  
HETATM   68  C   UNL     1     -14.447   4.075  -0.191  1.00  0.00           C  
HETATM   69  C   UNL     1     -15.898   4.358   0.207  1.00  0.00           C  
HETATM   70  C   UNL     1     -16.219   5.831  -0.052  1.00  0.00           C  
HETATM   71  C   UNL     1     -17.669   6.114   0.345  1.00  0.00           C  
HETATM   72  C   UNL     1      10.454  -0.104  -0.219  1.00  0.00           C  
HETATM   73  C   UNL     1      11.296   1.090   0.233  1.00  0.00           C  
HETATM   74  C   UNL     1      12.739   0.906  -0.242  1.00  0.00           C  
HETATM   75  C   UNL     1      13.581   2.101   0.210  1.00  0.00           C  
HETATM   76  C   UNL     1      15.024   1.917  -0.265  1.00  0.00           C  
HETATM   77  C   UNL     1      15.866   3.112   0.187  1.00  0.00           C  
HETATM   78  C   UNL     1      17.309   2.928  -0.288  1.00  0.00           C  
HETATM   79  C   UNL     1      18.151   4.123   0.164  1.00  0.00           C  
HETATM   80  C   UNL     1      19.593   3.939  -0.310  1.00  0.00           C  
HETATM   81  C   UNL     1      20.435   5.134   0.142  1.00  0.00           C  
HETATM   82  C   UNL     1      21.878   4.950  -0.333  1.00  0.00           C  
HETATM   83  H   UNL     1     -14.793   1.975  -0.523  1.00  0.00           H  
HETATM   84  H   UNL     1     -14.262   2.380   1.126  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.780   4.702   0.400  1.00  0.00           H  
HETATM   86  H   UNL     1     -14.311   4.296  -1.249  1.00  0.00           H  
HETATM   87  H   UNL     1     -16.565   3.731  -0.384  1.00  0.00           H  
HETATM   88  H   UNL     1     -16.034   4.136   1.265  1.00  0.00           H  
HETATM   89  H   UNL     1     -15.552   6.458   0.539  1.00  0.00           H  
HETATM   90  H   UNL     1     -16.083   6.052  -1.111  1.00  0.00           H  
HETATM   91  H   UNL     1     -18.337   5.487  -0.246  1.00  0.00           H  
HETATM   92  H   UNL     1     -17.806   5.892   1.404  1.00  0.00           H  
HETATM   93  H   UNL     1      10.864  -1.020   0.208  1.00  0.00           H  
HETATM   94  H   UNL     1      10.473  -0.171  -1.307  1.00  0.00           H  
HETATM   95  H   UNL     1      10.887   2.006  -0.194  1.00  0.00           H  
HETATM   96  H   UNL     1      11.278   1.157   1.321  1.00  0.00           H  
HETATM   97  H   UNL     1      13.148  -0.009   0.186  1.00  0.00           H  
HETATM   98  H   UNL     1      12.758   0.840  -1.329  1.00  0.00           H  
HETATM   99  H   UNL     1      13.172   3.017  -0.217  1.00  0.00           H  
HETATM  100  H   UNL     1      13.562   2.168   1.298  1.00  0.00           H  
HETATM  101  H   UNL     1      15.433   1.002   0.163  1.00  0.00           H  
HETATM  102  H   UNL     1      15.042   1.850  -1.352  1.00  0.00           H  
HETATM  103  H   UNL     1      15.457   4.028  -0.240  1.00  0.00           H  
HETATM  104  H   UNL     1      15.847   3.179   1.275  1.00  0.00           H  
HETATM  105  H   UNL     1      17.718   2.013   0.140  1.00  0.00           H  
HETATM  106  H   UNL     1      17.327   2.861  -1.375  1.00  0.00           H  
HETATM  107  H   UNL     1      17.742   5.038  -0.263  1.00  0.00           H  
HETATM  108  H   UNL     1      18.132   4.190   1.252  1.00  0.00           H  
HETATM  109  H   UNL     1      20.003   3.023   0.117  1.00  0.00           H  
HETATM  110  H   UNL     1      19.612   3.872  -1.398  1.00  0.00           H  
HETATM  111  H   UNL     1      20.026   6.049  -0.286  1.00  0.00           H  
HETATM  112  H   UNL     1      20.417   5.201   1.229  1.00  0.00           H  
HETATM  113  H   UNL     1      22.478   5.801  -0.011  1.00  0.00           H  
HETATM  114  H   UNL     1      22.288   4.034   0.094  1.00  0.00           H  
HETATM  115  H   UNL     1      21.897   4.883  -1.421  1.00  0.00           H  
HETATM  116  C   UNL     1     -17.991   7.587   0.087  1.00  0.00           C  
HETATM  117  C   UNL     1     -19.441   7.870   0.484  1.00  0.00           C  
HETATM  118  H   UNL     1     -17.323   8.214   0.678  1.00  0.00           H  
HETATM  119  H   UNL     1     -17.854   7.808  -0.972  1.00  0.00           H  
HETATM  120  H   UNL     1     -20.109   7.243  -0.107  1.00  0.00           H  
HETATM  121  H   UNL     1     -19.577   7.649   1.543  1.00  0.00           H  
HETATM  122  H   UNL     1     -19.670   8.920   0.300  1.00  0.00           H  
CONECT    1    3   20   26   27                                       
CONECT    2    4   22   28   29                                       
CONECT    3    1    5   30   31                                       
CONECT    4    2    6   32   33                                       
CONECT    5    3    7   34   35                                       
CONECT    6    4    8   36   37                                       
CONECT    7    5    9   38   39                                       
CONECT    8    6   10   40   41                                       
CONECT    9    7   11   42   43                                       
CONECT   10    8   12   44   45                                       
CONECT   11    9   13   46   47                                       
CONECT   12   10   21   48   49                                       
CONECT   13   11   19   50   51                                       
CONECT   14   19   19   24   52                                       
CONECT   15   18   18                                                 
CONECT   16   24   23   17   53                                       
CONECT   17   16   54   55   56                                       
CONECT   18   23   21   15   15                                       
CONECT   19   13   14   14   57                                       
CONECT   20    1   58   59   67                                       
CONECT   21   12   18   60   61                                       
CONECT   22    2   62   63   72                                       
CONECT   23   16   18   64                                            
CONECT   24   14   25   16   65                                       
CONECT   25   24   66                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   19                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   20   68   83   84                                       
CONECT   68   67   69   85   86                                       
CONECT   69   68   70   87   88                                       
CONECT   70   69   71   89   90                                       
CONECT   71   70   91   92  116                                       
CONECT   72   22   73   93   94                                       
CONECT   73   72   74   95   96                                       
CONECT   74   73   75   97   98                                       
CONECT   75   74   76   99  100                                       
CONECT   76   75   77  101  102                                       
CONECT   77   76   78  103  104                                       
CONECT   78   77   79  105  106                                       
CONECT   79   78   80  107  108                                       
CONECT   80   79   81  109  110                                       
CONECT   81   80   82  111  112                                       
CONECT   82   81  113  114  115                                       
CONECT   83   67                                                      
CONECT   84   67                                                      
CONECT   85   68                                                      
CONECT   86   68                                                      
CONECT   87   69                                                      
CONECT   88   69                                                      
CONECT   89   70                                                      
CONECT   90   70                                                      
CONECT   91   71                                                      
CONECT   92   71                                                      
CONECT   93   72                                                      
CONECT   94   72                                                      
CONECT   95   73                                                      
CONECT   96   73                                                      
CONECT   97   74                                                      
CONECT   98   74                                                      
CONECT   99   75                                                      
CONECT  100   75                                                      
CONECT  101   76                                                      
CONECT  102   76                                                      
CONECT  103   77                                                      
CONECT  104   77                                                      
CONECT  105   78                                                      
CONECT  106   78                                                      
CONECT  107   79                                                      
CONECT  108   79                                                      
CONECT  109   80                                                      
CONECT  110   80                                                      
CONECT  111   81                                                      
CONECT  112   81                                                      
CONECT  113   82                                                      
CONECT  114   82                                                      
CONECT  115   82                                                      
CONECT  116   71  117  118  119                                       
CONECT  117  116  120  121  122                                       
CONECT  118  116                                                      
CONECT  119  116                                                      
CONECT  120  117                                                      
CONECT  121  117                                                      
CONECT  122  117                                                      
MASTER        0    0    0    0    0    0    0    0  122    0  122    0
END
