COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.180   0.062   3.204  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.170   0.060   2.527  1.00  0.00           C  
HETATM    3  N   UNL     1      -4.214   0.985   2.742  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.391   1.992   3.791  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.041   2.480   4.251  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.812   2.714   5.594  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.574   3.162   6.016  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.566   3.376   5.095  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.795   3.141   3.753  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.031   2.689   3.331  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.198   3.168   3.239  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.989  -0.960   1.472  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.977  -1.921   1.252  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.808  -2.878   0.262  1.00  0.00           C  
HETATM   15  N   UNL     1      -6.799  -3.839   0.045  1.00  0.00           N  
HETATM   16  S   UNL     1      -7.503  -3.980  -1.447  1.00  0.00           S  
HETATM   17  O   UNL     1      -7.251  -2.729  -2.072  1.00  0.00           O  
HETATM   18  C   UNL     1      -6.568  -5.301  -2.266  1.00  0.00           C  
HETATM   19  O   UNL     1      -8.830  -4.407  -1.169  1.00  0.00           O  
HETATM   20  C   UNL     1      -7.214  -4.723   1.138  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.657  -2.883  -0.512  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.835  -0.958   0.692  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.665  -1.924  -0.298  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.439  -1.930  -1.124  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.294  -2.771  -1.990  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.482  -1.004  -0.916  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.267  -1.010  -1.735  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.522  -0.242  -3.033  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.769   1.133  -2.733  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.021   1.943  -3.882  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.266   3.366  -3.450  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.207   4.248  -3.346  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.431   5.556  -2.950  1.00  0.00           C  
HETATM   34  F   UNL     1       0.604   6.418  -2.848  1.00  0.00           F  
HETATM   35  C   UNL     1      -1.717   5.979  -2.657  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.776   5.095  -2.762  1.00  0.00           C  
HETATM   37  F   UNL     1      -4.031   5.506  -2.477  1.00  0.00           F  
HETATM   38  C   UNL     1      -2.550   3.789  -3.163  1.00  0.00           C  
HETATM   39  C   UNL     1       0.872  -0.341  -0.962  1.00  0.00           C  
HETATM   40  O   UNL     1       0.511   1.007  -0.655  1.00  0.00           O  
HETATM   41  C   UNL     1       1.128  -1.109   0.336  1.00  0.00           C  
HETATM   42  C   UNL     1       2.326  -0.497   1.063  1.00  0.00           C  
HETATM   43  C   UNL     1       2.471  -1.143   2.442  1.00  0.00           C  
HETATM   44  C   UNL     1       3.579  -0.741   0.261  1.00  0.00           C  
HETATM   45  O   UNL     1       3.518  -1.345  -0.789  1.00  0.00           O  
HETATM   46  N   UNL     1       4.766  -0.288   0.710  1.00  0.00           N  
HETATM   47  C   UNL     1       5.983  -0.525  -0.070  1.00  0.00           C  
HETATM   48  C   UNL     1       6.132   0.570  -1.128  1.00  0.00           C  
HETATM   49  C   UNL     1       4.965   0.487  -2.115  1.00  0.00           C  
HETATM   50  C   UNL     1       6.127   1.941  -0.449  1.00  0.00           C  
HETATM   51  C   UNL     1       7.179  -0.503   0.847  1.00  0.00           C  
HETATM   52  O   UNL     1       7.095   0.013   1.941  1.00  0.00           O  
HETATM   53  N   UNL     1       8.342  -1.056   0.450  1.00  0.00           N  
HETATM   54  C   UNL     1       9.471  -1.134   1.380  1.00  0.00           C  
HETATM   55  C   UNL     1      10.642  -1.791   0.695  1.00  0.00           C  
HETATM   56  C   UNL     1      11.561  -1.021   0.007  1.00  0.00           C  
HETATM   57  C   UNL     1      12.635  -1.623  -0.621  1.00  0.00           C  
HETATM   58  C   UNL     1      12.790  -2.996  -0.561  1.00  0.00           C  
HETATM   59  C   UNL     1      11.872  -3.766   0.128  1.00  0.00           C  
HETATM   60  C   UNL     1      10.800  -3.163   0.760  1.00  0.00           C  
HETATM   61  H   UNL     1      -3.408   0.984   2.202  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.923   1.549   4.633  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.600   2.547   6.314  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.395   3.345   7.066  1.00  0.00           H  
HETATM   65  H   UNL     1       0.401   3.727   5.425  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.007   3.309   3.033  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.209   2.502   2.282  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.174   2.815   2.906  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.329   3.918   4.019  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.665   3.611   2.397  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.874  -1.920   1.854  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.654  -6.220  -1.687  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.968  -5.463  -3.267  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.519  -5.013  -2.337  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.037  -4.262   1.684  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.540  -5.679   0.728  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.374  -4.885   1.813  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.528  -3.630  -1.282  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.071  -0.213   0.856  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.597  -0.334  -0.225  1.00  0.00           H  
HETATM   81  H   UNL     1       0.008  -2.039  -1.969  1.00  0.00           H  
HETATM   82  H   UNL     1       0.351  -0.322  -3.680  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.390  -0.664  -3.540  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.158   1.909  -4.547  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.899   1.566  -4.407  1.00  0.00           H  
HETATM   86  H   UNL     1       0.795   3.918  -3.575  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.892   6.998  -2.347  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.377   3.100  -3.249  1.00  0.00           H  
HETATM   89  H   UNL     1       1.776  -0.346  -1.571  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.286   1.087  -0.114  1.00  0.00           H  
HETATM   91  H   UNL     1       0.246  -1.048   0.974  1.00  0.00           H  
HETATM   92  H   UNL     1       1.337  -2.154   0.105  1.00  0.00           H  
HETATM   93  H   UNL     1       2.172   0.576   1.179  1.00  0.00           H  
HETATM   94  H   UNL     1       2.713  -2.200   2.325  1.00  0.00           H  
HETATM   95  H   UNL     1       3.269  -0.647   2.994  1.00  0.00           H  
HETATM   96  H   UNL     1       1.534  -1.043   2.990  1.00  0.00           H  
HETATM   97  H   UNL     1       4.814   0.195   1.550  1.00  0.00           H  
HETATM   98  H   UNL     1       5.918  -1.496  -0.559  1.00  0.00           H  
HETATM   99  H   UNL     1       7.071   0.433  -1.664  1.00  0.00           H  
HETATM  100  H   UNL     1       4.036   0.734  -1.602  1.00  0.00           H  
HETATM  101  H   UNL     1       5.129   1.191  -2.931  1.00  0.00           H  
HETATM  102  H   UNL     1       4.900  -0.525  -2.516  1.00  0.00           H  
HETATM  103  H   UNL     1       6.958   2.000   0.255  1.00  0.00           H  
HETATM  104  H   UNL     1       6.233   2.721  -1.203  1.00  0.00           H  
HETATM  105  H   UNL     1       5.188   2.078   0.086  1.00  0.00           H  
HETATM  106  H   UNL     1       8.432  -1.403  -0.452  1.00  0.00           H  
HETATM  107  H   UNL     1       9.752  -0.129   1.696  1.00  0.00           H  
HETATM  108  H   UNL     1       9.184  -1.722   2.252  1.00  0.00           H  
HETATM  109  H   UNL     1      11.440   0.051  -0.040  1.00  0.00           H  
HETATM  110  H   UNL     1      13.353  -1.022  -1.159  1.00  0.00           H  
HETATM  111  H   UNL     1      13.629  -3.466  -1.052  1.00  0.00           H  
HETATM  112  H   UNL     1      11.993  -4.838   0.175  1.00  0.00           H  
HETATM  113  H   UNL     1      10.084  -3.764   1.301  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   12                                       
CONECT    3    2    4   61                                            
CONECT    4    3    5   11   62                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   63                                       
CONECT    7    6    8    8   64                                       
CONECT    8    7    7    9   65                                       
CONECT    9    8   10   10   66                                       
CONECT   10    5    9    9   67                                       
CONECT   11    4   68   69   70                                       
CONECT   12    2   13   13   22                                       
CONECT   13   12   12   14   71                                       
CONECT   14   13   15   21   21                                       
CONECT   15   14   16   20                                            
CONECT   16   15   17   17   18                                       
CONECT   16   19   19                                                 
CONECT   17   16   16                                                 
CONECT   18   16   72   73   74                                       
CONECT   19   16   16                                                 
CONECT   20   15   75   76   77                                       
CONECT   21   14   14   23   78                                       
CONECT   22   12   23   23   79                                       
CONECT   23   21   22   22   24                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   80                                            
CONECT   27   26   28   39   81                                       
CONECT   28   27   29   82   83                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   84   85                                       
CONECT   31   30   32   32   38                                       
CONECT   32   31   31   33   86                                       
CONECT   33   32   34   35   35                                       
CONECT   34   33                                                      
CONECT   35   33   33   36   87                                       
CONECT   36   35   37   38   38                                       
CONECT   37   36                                                      
CONECT   38   31   36   36   88                                       
CONECT   39   27   40   41   89                                       
CONECT   40   39   90                                                 
CONECT   41   39   42   91   92                                       
CONECT   42   41   43   44   93                                       
CONECT   43   42   94   95   96                                       
CONECT   44   42   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   47   97                                            
CONECT   47   46   48   51   98                                       
CONECT   48   47   49   50   99                                       
CONECT   49   48  100  101  102                                       
CONECT   50   48  103  104  105                                       
CONECT   51   47   52   52   53                                       
CONECT   52   51   51                                                 
CONECT   53   51   54  106                                            
CONECT   54   53   55  107  108                                       
CONECT   55   54   56   56   60                                       
CONECT   56   55   55   57  109                                       
CONECT   57   56   58   58  110                                       
CONECT   58   57   57   59  111                                       
CONECT   59   58   60   60  112                                       
CONECT   60   55   59   59  113                                       
CONECT   61    3                                                      
CONECT   62    4                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   13                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   30                                                      
CONECT   85   30                                                      
CONECT   86   32                                                      
CONECT   87   35                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   41                                                      
CONECT   93   42                                                      
CONECT   94   43                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
CONECT  100   49                                                      
CONECT  101   49                                                      
CONECT  102   49                                                      
CONECT  103   50                                                      
CONECT  104   50                                                      
CONECT  105   50                                                      
CONECT  106   53                                                      
CONECT  107   54                                                      
CONECT  108   54                                                      
CONECT  109   56                                                      
CONECT  110   57                                                      
CONECT  111   58                                                      
CONECT  112   59                                                      
CONECT  113   60                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
