COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.516   0.112  -0.071  1.00  0.00           C  
HETATM    2  C   UNL     1      14.074   2.597  -2.144  1.00  0.00           C  
HETATM    3  C   UNL     1       9.831   0.386  -0.696  1.00  0.00           C  
HETATM    4  C   UNL     1       9.969   1.437  -1.603  1.00  0.00           C  
HETATM    5  C   UNL     1      13.625   1.179  -2.502  1.00  0.00           C  
HETATM    6  C   UNL     1      11.196   1.688  -2.182  1.00  0.00           C  
HETATM    7  C   UNL     1      12.288   0.900  -1.865  1.00  0.00           C  
HETATM    8  C   UNL     1      12.157  -0.144  -0.966  1.00  0.00           C  
HETATM    9  C   UNL     1      10.936  -0.401  -0.376  1.00  0.00           C  
HETATM   10  C   UNL     1      13.503   1.051  -4.021  1.00  0.00           C  
HETATM   11  C   UNL     1      14.655   0.172  -1.986  1.00  0.00           C  
HETATM   12  N   UNL     1       8.410  -0.890   0.794  1.00  0.00           N  
HETATM   13  N   UNL     1       3.738   0.035   1.300  1.00  0.00           N  
HETATM   14  C   UNL     1       6.292   0.666   0.149  1.00  0.00           C  
HETATM   15  N   UNL     1       3.224   0.918   5.452  1.00  0.00           N  
HETATM   16  N   UNL     1       7.479   0.878  -0.387  1.00  0.00           N  
HETATM   17  C   UNL     1       7.148  -2.303   2.356  1.00  0.00           C  
HETATM   18  O   UNL     1       4.737  -1.486   2.574  1.00  0.00           O  
HETATM   19  C   UNL     1       7.258  -1.163   1.376  1.00  0.00           C  
HETATM   20  C   UNL     1       4.830  -0.648   1.698  1.00  0.00           C  
HETATM   21  C   UNL     1       2.439  -0.233   1.923  1.00  0.00           C  
HETATM   22  C   UNL     1       2.308   0.593   3.204  1.00  0.00           C  
HETATM   23  C   UNL     1       3.350   0.124   4.222  1.00  0.00           C  
HETATM   24  C   UNL     1       1.336   0.144   0.968  1.00  0.00           C  
HETATM   25  C   UNL     1       6.139  -0.378   1.070  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.281  -0.558   2.650  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.025   0.349   0.400  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.870  -0.864   0.093  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.293  -2.104  -0.096  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.086  -3.205  -0.370  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.465  -3.067  -0.458  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.046  -1.815  -0.262  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.239  -0.710   0.012  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.514  -1.614  -0.340  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.026  -0.340  -0.090  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.385  -0.121  -0.156  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.246  -1.159  -0.469  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.747  -2.424  -0.718  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.381  -2.660  -0.657  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.599  -4.723   0.227  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.976  -6.038  -0.244  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.924   1.260   0.120  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.930   2.304  -0.393  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.738   3.163   0.119  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.468   3.211   0.926  1.00  0.00           C  
HETATM   46  C   UNL     1      -1.915   1.391   1.034  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.978   4.657   1.029  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.545   3.676  -0.294  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.650  -4.322  -2.092  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.218  -5.731  -2.276  1.00  0.00           C  
HETATM   51  N   UNL     1      -6.610  -5.763  -1.807  1.00  0.00           N  
HETATM   52  N   UNL     1       0.048  -0.017   1.329  1.00  0.00           N  
HETATM   53  N   UNL     1      -3.616  -5.786  -0.740  1.00  0.00           N  
HETATM   54  N   UNL     1      -5.703   2.251   0.433  1.00  0.00           N  
HETATM   55  N   UNL     1      -2.443   2.379   0.243  1.00  0.00           N  
HETATM   56  O   UNL     1       1.608   0.592  -0.126  1.00  0.00           O  
HETATM   57  O   UNL     1      -5.892  -3.902  -0.906  1.00  0.00           O  
HETATM   58  O   UNL     1      -4.903   3.931  -0.805  1.00  0.00           O  
HETATM   59  O   UNL     1      -2.159   1.355   2.221  1.00  0.00           O  
HETATM   60  O   UNL     1      -7.261   4.402   0.635  1.00  0.00           O  
HETATM   61  O   UNL     1      -4.243  -4.146  -0.734  1.00  0.00           O  
HETATM   62  C   UNL     1      -9.007   5.431  -1.142  1.00  0.00           C  
HETATM   63  C   UNL     1      -9.931   5.653  -2.312  1.00  0.00           C  
HETATM   64  N   UNL     1      -8.410   4.097  -1.238  1.00  0.00           N  
HETATM   65  N   UNL     1     -11.150   5.984  -2.111  1.00  0.00           N  
HETATM   66  H   UNL     1      14.161   2.688  -1.061  1.00  0.00           H  
HETATM   67  H   UNL     1      15.041   2.799  -2.604  1.00  0.00           H  
HETATM   68  H   UNL     1      13.340   3.314  -2.511  1.00  0.00           H  
HETATM   69  H   UNL     1       9.117   2.052  -1.852  1.00  0.00           H  
HETATM   70  H   UNL     1      11.304   2.501  -2.885  1.00  0.00           H  
HETATM   71  H   UNL     1      13.013  -0.756  -0.722  1.00  0.00           H  
HETATM   72  H   UNL     1      10.835  -1.216   0.325  1.00  0.00           H  
HETATM   73  H   UNL     1      14.470   1.252  -4.482  1.00  0.00           H  
HETATM   74  H   UNL     1      13.183   0.040  -4.276  1.00  0.00           H  
HETATM   75  H   UNL     1      12.769   1.768  -4.389  1.00  0.00           H  
HETATM   76  H   UNL     1      14.742   0.264  -0.903  1.00  0.00           H  
HETATM   77  H   UNL     1      14.335  -0.838  -2.240  1.00  0.00           H  
HETATM   78  H   UNL     1      15.622   0.374  -2.446  1.00  0.00           H  
HETATM   79  H   UNL     1       3.812   0.703   0.601  1.00  0.00           H  
HETATM   80  H   UNL     1       5.453   1.294  -0.113  1.00  0.00           H  
HETATM   81  H   UNL     1       2.287   0.865   5.823  1.00  0.00           H  
HETATM   82  H   UNL     1       3.902   0.627   6.141  1.00  0.00           H  
HETATM   83  H   UNL     1       7.420  -1.952   3.352  1.00  0.00           H  
HETATM   84  H   UNL     1       6.123  -2.674   2.368  1.00  0.00           H  
HETATM   85  H   UNL     1       7.822  -3.105   2.057  1.00  0.00           H  
HETATM   86  H   UNL     1       2.364  -1.293   2.165  1.00  0.00           H  
HETATM   87  H   UNL     1       2.472   1.646   2.976  1.00  0.00           H  
HETATM   88  H   UNL     1       1.309   0.463   3.621  1.00  0.00           H  
HETATM   89  H   UNL     1       4.349   0.255   3.806  1.00  0.00           H  
HETATM   90  H   UNL     1       3.186  -0.929   4.451  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.373   0.260   3.365  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.224  -1.101   2.596  1.00  0.00           H  
HETATM   93  H   UNL     1       0.510  -1.235   2.972  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.595   0.742  -0.521  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.221  -2.216  -0.031  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.632  -4.174  -0.516  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.684   0.262   0.160  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.359   0.472   0.154  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.310  -0.979  -0.519  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.422  -3.231  -0.960  1.00  0.00           H  
HETATM  101  H   UNL     1      -6.520  -4.932   0.771  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.900  -4.203   0.881  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.934  -6.740   0.590  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.582  -6.462  -1.045  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.879   1.386  -0.390  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.066   1.387   1.193  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.679   2.090  -1.432  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.654   2.816   1.925  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.741   5.265   1.516  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.059   4.689   1.614  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.787   5.048   0.029  1.00  0.00           H  
HETATM  112  H   UNL     1      -3.791  -4.188  -2.749  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.416  -3.587  -2.340  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.184  -6.002  -3.331  1.00  0.00           H  
HETATM  115  H   UNL     1      -4.624  -6.440  -1.700  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.059  -6.628  -2.067  1.00  0.00           H  
HETATM  117  H   UNL     1      -6.659  -5.614  -0.811  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.118  -6.651  -0.885  1.00  0.00           H  
HETATM  119  H   UNL     1      -3.636  -5.234  -1.584  1.00  0.00           H  
HETATM  120  H   UNL     1      -5.592   1.609   1.151  1.00  0.00           H  
HETATM  121  H   UNL     1      -2.173   2.521  -0.678  1.00  0.00           H  
HETATM  122  H   UNL     1      -8.219   6.184  -1.153  1.00  0.00           H  
HETATM  123  H   UNL     1      -9.573   5.510  -0.213  1.00  0.00           H  
HETATM  124  H   UNL     1      -9.563   5.532  -3.320  1.00  0.00           H  
HETATM  125  H   UNL     1      -8.637   3.516  -1.981  1.00  0.00           H  
HETATM  126  H   UNL     1     -11.744   6.127  -2.864  1.00  0.00           H  
CONECT    1    3   12   16   16                                       
CONECT    2    5   66   67   68                                       
CONECT    3    9    9    4    1                                       
CONECT    4    6    6    3   69                                       
CONECT    5   11   10    2    7                                       
CONECT    6    7    4    4   70                                       
CONECT    7    5    8    8    6                                       
CONECT    8    7    7    9   71                                       
CONECT    9    8    3    3   72                                       
CONECT   10    5   73   74   75                                       
CONECT   11    5   76   77   78                                       
CONECT   12    1   19   19                                            
CONECT   13   20   21   79                                            
CONECT   14   16   25   25   80                                       
CONECT   15   23   81   82                                            
CONECT   16    1    1   14                                            
CONECT   17   19   83   84   85                                       
CONECT   18   20   20                                                 
CONECT   19   12   12   17   25                                       
CONECT   20   25   18   18   13                                       
CONECT   21   13   24   22   86                                       
CONECT   22   21   23   87   88                                       
CONECT   23   22   15   89   90                                       
CONECT   24   56   56   52   21                                       
CONECT   25   19   14   14   20                                       
CONECT   26   52   91   92   93                                       
CONECT   27   28   52   46   94                                       
CONECT   28   29   27   33   33                                       
CONECT   29   30   30   28   95                                       
CONECT   30   29   29   31   96                                       
CONECT   31   30   61   32   32                                       
CONECT   32   31   31   33   34                                       
CONECT   33   28   28   32   97                                       
CONECT   34   32   35   39   39                                       
CONECT   35   34   36   36   98                                       
CONECT   36   35   35   42   37                                       
CONECT   37   36   38   38   99                                       
CONECT   38   39   37   37  100                                       
CONECT   39   34   34   57   38                                       
CONECT   40   57   41  101  102                                       
CONECT   41   40   53  103  104                                       
CONECT   42   43   36  105  106                                       
CONECT   43   48   54   42  107                                       
CONECT   44   58   58   45   54                                       
CONECT   45   55   47   44  108                                       
CONECT   46   27   55   59   59                                       
CONECT   47   45  109  110  111                                       
CONECT   48   64   43   60   60                                       
CONECT   49   50   61  112  113                                       
CONECT   50   51   49  114  115                                       
CONECT   51   50  116  117                                            
CONECT   52   27   24   26                                            
CONECT   53   41  118  119                                            
CONECT   54   44   43  120                                            
CONECT   55   45   46  121                                            
CONECT   56   24   24                                                 
CONECT   57   39   40                                                 
CONECT   58   44   44                                                 
CONECT   59   46   46                                                 
CONECT   60   48   48                                                 
CONECT   61   49   31                                                 
CONECT   62   64   63  122  123                                       
CONECT   63   62   65   65  124                                       
CONECT   64   62   48  125                                            
CONECT   65   63   63  126                                            
CONECT   66    2                                                      
CONECT   67    2                                                      
CONECT   68    2                                                      
CONECT   69    4                                                      
CONECT   70    6                                                      
CONECT   71    8                                                      
CONECT   72    9                                                      
CONECT   73   10                                                      
CONECT   74   10                                                      
CONECT   75   10                                                      
CONECT   76   11                                                      
CONECT   77   11                                                      
CONECT   78   11                                                      
CONECT   79   13                                                      
CONECT   80   14                                                      
CONECT   81   15                                                      
CONECT   82   15                                                      
CONECT   83   17                                                      
CONECT   84   17                                                      
CONECT   85   17                                                      
CONECT   86   21                                                      
CONECT   87   22                                                      
CONECT   88   22                                                      
CONECT   89   23                                                      
CONECT   90   23                                                      
CONECT   91   26                                                      
CONECT   92   26                                                      
CONECT   93   26                                                      
CONECT   94   27                                                      
CONECT   95   29                                                      
CONECT   96   30                                                      
CONECT   97   33                                                      
CONECT   98   35                                                      
CONECT   99   37                                                      
CONECT  100   38                                                      
CONECT  101   40                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   41                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   45                                                      
CONECT  109   47                                                      
CONECT  110   47                                                      
CONECT  111   47                                                      
CONECT  112   49                                                      
CONECT  113   49                                                      
CONECT  114   50                                                      
CONECT  115   50                                                      
CONECT  116   51                                                      
CONECT  117   51                                                      
CONECT  118   53                                                      
CONECT  119   53                                                      
CONECT  120   54                                                      
CONECT  121   55                                                      
CONECT  122   62                                                      
CONECT  123   62                                                      
CONECT  124   63                                                      
CONECT  125   64                                                      
CONECT  126   65                                                      
MASTER        0    0    0    0    0    0    0    0  126    0  126    0
END
