COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      11.970  -1.593   0.047  1.00  0.00           N  
HETATM    2  N   UNL     1       3.068   3.031  -0.120  1.00  0.00           N  
HETATM    3  C   UNL     1      14.756   1.057   1.656  1.00  0.00           C  
HETATM    4  C   UNL     1      13.407   1.208   1.933  1.00  0.00           C  
HETATM    5  C   UNL     1      12.482   0.332   1.401  1.00  0.00           C  
HETATM    6  C   UNL     1      12.900  -0.709   0.583  1.00  0.00           C  
HETATM    7  C   UNL     1      10.623  -1.240  -0.004  1.00  0.00           C  
HETATM    8  C   UNL     1       8.886   0.400  -0.168  1.00  0.00           C  
HETATM    9  C   UNL     1       4.882   1.542   0.445  1.00  0.00           C  
HETATM   10  C   UNL     1       5.323   3.543  -0.815  1.00  0.00           C  
HETATM   11  C   UNL     1       7.011   5.219  -2.098  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.129   2.971  -0.602  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.910   1.800  -0.063  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.007   0.747   0.591  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.557  -1.682  -0.101  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.746  -1.870  -1.074  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.430   0.204   0.136  1.00  0.00           C  
HETATM   18  F   UNL     1      10.724  -3.870   1.359  1.00  0.00           F  
HETATM   19  C   UNL     1       9.991  -3.672   0.184  1.00  0.00           C  
HETATM   20  F   UNL     1      10.763  -4.056  -0.918  1.00  0.00           F  
HETATM   21  F   UNL     1       8.824  -4.443   0.227  1.00  0.00           F  
HETATM   22  C   UNL     1       9.626  -2.216   0.058  1.00  0.00           C  
HETATM   23  C   UNL     1      15.189   0.029   0.846  1.00  0.00           C  
HETATM   24  C   UNL     1      14.266  -0.865   0.300  1.00  0.00           C  
HETATM   25  C   UNL     1      14.723  -1.967  -0.567  1.00  0.00           C  
HETATM   26  O   UNL     1      13.910  -2.679  -1.124  1.00  0.00           O  
HETATM   27  N   UNL     1      16.042  -2.184  -0.741  1.00  0.00           N  
HETATM   28  C   UNL     1      16.496  -3.279  -1.602  1.00  0.00           C  
HETATM   29  C   UNL     1       8.304  -1.830   0.005  1.00  0.00           C  
HETATM   30  N   UNL     1       7.971  -0.557  -0.105  1.00  0.00           N  
HETATM   31  C   UNL     1      10.239   0.092  -0.114  1.00  0.00           C  
HETATM   32  N   UNL     1       8.486   1.728  -0.277  1.00  0.00           N  
HETATM   33  C   UNL     1       7.122   2.055  -0.241  1.00  0.00           C  
HETATM   34  C   UNL     1       6.668   3.219  -0.857  1.00  0.00           C  
HETATM   35  O   UNL     1       7.546   4.040  -1.494  1.00  0.00           O  
HETATM   36  C   UNL     1       4.428   2.704  -0.163  1.00  0.00           C  
HETATM   37  C   UNL     1       6.226   1.220   0.408  1.00  0.00           C  
HETATM   38  C   UNL     1       2.527   3.214  -1.475  1.00  0.00           C  
HETATM   39  C   UNL     1       1.062   3.647  -1.382  1.00  0.00           C  
HETATM   40  N   UNL     1       0.299   2.628  -0.647  1.00  0.00           N  
HETATM   41  C   UNL     1       0.840   2.445   0.707  1.00  0.00           C  
HETATM   42  C   UNL     1       2.305   2.012   0.614  1.00  0.00           C  
HETATM   43  O   UNL     1      -1.333   0.780   0.252  1.00  0.00           O  
HETATM   44  N   UNL     1      -3.248   1.886   0.068  1.00  0.00           N  
HETATM   45  C   UNL     1      -4.002   0.791   2.121  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.570   0.614   2.631  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.549   2.139   2.595  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.880  -0.337   2.666  1.00  0.00           C  
HETATM   49  C   UNL     1      -5.427   0.818   0.092  1.00  0.00           C  
HETATM   50  O   UNL     1      -5.984   1.892  -0.004  1.00  0.00           O  
HETATM   51  N   UNL     1      -6.079  -0.311  -0.248  1.00  0.00           N  
HETATM   52  C   UNL     1      -7.429  -0.380  -0.827  1.00  0.00           C  
HETATM   53  C   UNL     1      -6.338  -2.517  -1.147  1.00  0.00           C  
HETATM   54  O   UNL     1      -5.771  -2.366  -2.450  1.00  0.00           O  
HETATM   55  O   UNL     1      -8.059   0.650   1.201  1.00  0.00           O  
HETATM   56  N   UNL     1      -9.739   0.229  -0.185  1.00  0.00           N  
HETATM   57  C   UNL     1     -10.712   0.797   0.751  1.00  0.00           C  
HETATM   58  C   UNL     1     -10.785   2.312   0.555  1.00  0.00           C  
HETATM   59  C   UNL     1     -12.068   0.191   0.494  1.00  0.00           C  
HETATM   60  C   UNL     1     -12.888  -0.140   1.558  1.00  0.00           C  
HETATM   61  C   UNL     1     -14.130  -0.695   1.330  1.00  0.00           C  
HETATM   62  C   UNL     1     -14.560  -0.921   0.022  1.00  0.00           C  
HETATM   63  C   UNL     1     -13.729  -0.584  -1.048  1.00  0.00           C  
HETATM   64  C   UNL     1     -12.491  -0.025  -0.806  1.00  0.00           C  
HETATM   65  C   UNL     1     -15.891  -1.515  -0.230  1.00  0.00           C  
HETATM   66  C   UNL     1     -16.808  -1.067  -1.115  1.00  0.00           C  
HETATM   67  C   UNL     1     -16.581   0.140  -1.987  1.00  0.00           C  
HETATM   68  N   UNL     1     -17.915  -1.775  -1.148  1.00  0.00           N  
HETATM   69  C   UNL     1     -17.994  -2.789  -0.353  1.00  0.00           C  
HETATM   70  S   UNL     1     -16.559  -2.939   0.564  1.00  0.00           S  
HETATM   71  H   UNL     1      12.260  -2.453  -0.295  1.00  0.00           H  
HETATM   72  H   UNL     1      15.471   1.750   2.073  1.00  0.00           H  
HETATM   73  H   UNL     1      13.077   2.016   2.569  1.00  0.00           H  
HETATM   74  H   UNL     1      11.432   0.457   1.622  1.00  0.00           H  
HETATM   75  H   UNL     1       4.185   0.891   0.952  1.00  0.00           H  
HETATM   76  H   UNL     1       4.970   4.447  -1.288  1.00  0.00           H  
HETATM   77  H   UNL     1       6.273   4.939  -2.850  1.00  0.00           H  
HETATM   78  H   UNL     1       6.536   5.835  -1.335  1.00  0.00           H  
HETATM   79  H   UNL     1       7.816   5.782  -2.571  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.477   3.209  -1.607  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.275   3.835   0.047  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.549  -0.182   0.252  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.489  -1.706  -0.317  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.750  -2.056   0.904  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.319  -2.286  -0.245  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.281  -2.000  -2.015  1.00  0.00           H  
HETATM   87  H   UNL     1      16.242  -0.081   0.630  1.00  0.00           H  
HETATM   88  H   UNL     1      16.690  -1.616  -0.296  1.00  0.00           H  
HETATM   89  H   UNL     1      17.586  -3.299  -1.621  1.00  0.00           H  
HETATM   90  H   UNL     1      16.122  -4.226  -1.214  1.00  0.00           H  
HETATM   91  H   UNL     1      16.118  -3.126  -2.613  1.00  0.00           H  
HETATM   92  H   UNL     1       7.528  -2.581   0.052  1.00  0.00           H  
HETATM   93  H   UNL     1      10.981   0.875  -0.165  1.00  0.00           H  
HETATM   94  H   UNL     1       9.150   2.428  -0.379  1.00  0.00           H  
HETATM   95  H   UNL     1       6.578   0.317   0.886  1.00  0.00           H  
HETATM   96  H   UNL     1       3.101   3.982  -1.994  1.00  0.00           H  
HETATM   97  H   UNL     1       2.595   2.275  -2.024  1.00  0.00           H  
HETATM   98  H   UNL     1       0.997   4.600  -0.857  1.00  0.00           H  
HETATM   99  H   UNL     1       0.651   3.755  -2.386  1.00  0.00           H  
HETATM  100  H   UNL     1       0.772   3.384   1.256  1.00  0.00           H  
HETATM  101  H   UNL     1       0.266   1.678   1.227  1.00  0.00           H  
HETATM  102  H   UNL     1       2.370   1.059   0.089  1.00  0.00           H  
HETATM  103  H   UNL     1       2.716   1.904   1.618  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.709   2.701  -0.184  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.566   0.644   3.720  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.180  -0.347   2.293  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.944   1.417   2.242  1.00  0.00           H  
HETATM  108  H   UNL     1      -5.569   2.265   2.232  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.545   2.169   3.684  1.00  0.00           H  
HETATM  110  H   UNL     1      -3.923   2.942   2.206  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.880  -0.257   2.240  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.446  -1.299   2.395  1.00  0.00           H  
HETATM  113  H   UNL     1      -4.941  -0.258   3.752  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.456   0.166  -1.770  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.375  -3.568  -0.858  1.00  0.00           H  
HETATM  116  H   UNL     1      -4.854  -2.668  -2.517  1.00  0.00           H  
HETATM  117  H   UNL     1     -10.036  -0.128  -1.037  1.00  0.00           H  
HETATM  118  H   UNL     1     -10.404   0.577   1.773  1.00  0.00           H  
HETATM  119  H   UNL     1     -11.509   2.734   1.251  1.00  0.00           H  
HETATM  120  H   UNL     1      -9.804   2.750   0.741  1.00  0.00           H  
HETATM  121  H   UNL     1     -11.093   2.532  -0.467  1.00  0.00           H  
HETATM  122  H   UNL     1     -12.554   0.035   2.570  1.00  0.00           H  
HETATM  123  H   UNL     1     -14.769  -0.953   2.162  1.00  0.00           H  
HETATM  124  H   UNL     1     -14.056  -0.757  -2.062  1.00  0.00           H  
HETATM  125  H   UNL     1     -11.847   0.236  -1.632  1.00  0.00           H  
HETATM  126  H   UNL     1     -16.187  -0.178  -2.953  1.00  0.00           H  
HETATM  127  H   UNL     1     -17.525   0.664  -2.135  1.00  0.00           H  
HETATM  128  H   UNL     1     -15.867   0.808  -1.506  1.00  0.00           H  
HETATM  129  H   UNL     1     -18.844  -3.451  -0.280  1.00  0.00           H  
CONECT    1    7    6   71                                            
CONECT    2   38   36   42                                            
CONECT    3    4    4   23   72                                       
CONECT    4    5    3    3   73                                       
CONECT    5    6    6    4   74                                       
CONECT    6    1    5    5   24                                       
CONECT    7   22   22   31    1                                       
CONECT    8   30   32   31   31                                       
CONECT    9   36   36   37   75                                       
CONECT   10   34   34   36   76                                       
CONECT   11   35   77   78   79                                       
CONECT   12   13   40   80   81                                       
CONECT   13   44   43   43   12                                       
CONECT   14   45   44   49   82                                       
CONECT   15   53   51   83   84                                       
CONECT   16   53   52   85   86                                       
CONECT   17   55   55   52   56                                       
CONECT   18   19                                                      
CONECT   19   20   22   21   18                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   29   19    7    7                                       
CONECT   23   24   24    3   87                                       
CONECT   24    6   25   23   23                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   88                                            
CONECT   28   27   89   90   91                                       
CONECT   29   30   30   22   92                                       
CONECT   30   29   29    8                                            
CONECT   31    8    8    7   93                                       
CONECT   32   33    8   94                                            
CONECT   33   34   32   37   37                                       
CONECT   34   35   10   10   33                                       
CONECT   35   11   34                                                 
CONECT   36   10    2    9    9                                       
CONECT   37   33   33    9   95                                       
CONECT   38   39    2   96   97                                       
CONECT   39   38   40   98   99                                       
CONECT   40   39   12   41                                            
CONECT   41   40   42  100  101                                       
CONECT   42    2   41  102  103                                       
CONECT   43   13   13                                                 
CONECT   44   14   13  104                                            
CONECT   45   46   48   47   14                                       
CONECT   46   45  105  106  107                                       
CONECT   47   45  108  109  110                                       
CONECT   48   45  111  112  113                                       
CONECT   49   14   51   50   50                                       
CONECT   50   49   49                                                 
CONECT   51   15   49   52                                            
CONECT   52   51   16   17  114                                       
CONECT   53   15   16   54  115                                       
CONECT   54   53  116                                                 
CONECT   55   17   17                                                 
CONECT   56   17   57  117                                            
CONECT   57   56   59   58  118                                       
CONECT   58   57  119  120  121                                       
CONECT   59   60   60   64   57                                       
CONECT   60   61   59   59  122                                       
CONECT   61   62   62   60  123                                       
CONECT   62   65   61   61   63                                       
CONECT   63   62   64   64  124                                       
CONECT   64   63   63   59  125                                       
CONECT   65   70   62   66   66                                       
CONECT   66   68   65   65   67                                       
CONECT   67   66  126  127  128                                       
CONECT   68   69   69   66                                            
CONECT   69   70   68   68  129                                       
CONECT   70   69   65                                                 
CONECT   71    1                                                      
CONECT   72    3                                                      
CONECT   73    4                                                      
CONECT   74    5                                                      
CONECT   75    9                                                      
CONECT   76   10                                                      
CONECT   77   11                                                      
CONECT   78   11                                                      
CONECT   79   11                                                      
CONECT   80   12                                                      
CONECT   81   12                                                      
CONECT   82   14                                                      
CONECT   83   15                                                      
CONECT   84   15                                                      
CONECT   85   16                                                      
CONECT   86   16                                                      
CONECT   87   23                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   28                                                      
CONECT   92   29                                                      
CONECT   93   31                                                      
CONECT   94   32                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   38                                                      
CONECT   98   39                                                      
CONECT   99   39                                                      
CONECT  100   41                                                      
CONECT  101   41                                                      
CONECT  102   42                                                      
CONECT  103   42                                                      
CONECT  104   44                                                      
CONECT  105   46                                                      
CONECT  106   46                                                      
CONECT  107   46                                                      
CONECT  108   47                                                      
CONECT  109   47                                                      
CONECT  110   47                                                      
CONECT  111   48                                                      
CONECT  112   48                                                      
CONECT  113   48                                                      
CONECT  114   52                                                      
CONECT  115   53                                                      
CONECT  116   54                                                      
CONECT  117   56                                                      
CONECT  118   57                                                      
CONECT  119   58                                                      
CONECT  120   58                                                      
CONECT  121   58                                                      
CONECT  122   60                                                      
CONECT  123   61                                                      
CONECT  124   63                                                      
CONECT  125   64                                                      
CONECT  126   67                                                      
CONECT  127   67                                                      
CONECT  128   67                                                      
CONECT  129   69                                                      
MASTER        0    0    0    0    0    0    0    0  129    0  129    0
END
