COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.279  -4.309   3.403  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.360  -3.625   3.941  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.748  -4.868   3.477  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.234  -2.556   3.867  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.009  -5.042   2.938  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.495  -2.730   3.328  1.00  0.00           C  
HETATM    7  N   UNL     1      -5.600  -3.001   1.452  1.00  0.00           N  
HETATM    8  C   UNL     1      -3.883  -3.973   2.863  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.257  -4.163   2.275  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.324  -0.947  -1.748  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.016  -4.200   0.231  1.00  0.00           O  
HETATM   12  O   UNL     1      -6.229   2.658  -1.335  1.00  0.00           O  
HETATM   13  O   UNL     1     -10.019  -3.175  -2.423  1.00  0.00           O  
HETATM   14  O   UNL     1     -11.098  -1.884  -4.237  1.00  0.00           O  
HETATM   15  C   UNL     1      -7.768  -2.078  -1.416  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.501   0.252  -1.948  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.244  -0.717  -0.128  1.00  0.00           C  
HETATM   18  N   UNL     1      -9.021  -1.108  -3.233  1.00  0.00           N  
HETATM   19  C   UNL     1      -6.495  -3.124   0.451  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.942   1.697  -0.650  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.094  -0.977  -2.196  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.841  -1.951  -0.380  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.574   0.386  -0.913  1.00  0.00           C  
HETATM   24  S   UNL     1     -10.433  -1.936  -2.982  1.00  0.00           S  
HETATM   25  N   UNL     1      -5.047   1.825   0.350  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.420   3.123   0.610  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.330   3.956   1.515  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.611   4.270   0.787  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.690   3.411   0.883  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.710   5.421   0.027  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.865   3.699   0.215  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.885   5.709  -0.641  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.962   4.847  -0.549  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.072   2.909   1.300  1.00  0.00           C  
HETATM   35  O   UNL     1      -3.273   2.221   2.536  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.161   2.077   0.395  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.794   1.970   1.020  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.569   2.507   2.083  1.00  0.00           O  
HETATM   39  N   UNL     1       0.179   1.277   0.395  1.00  0.00           N  
HETATM   40  C   UNL     1       1.537   1.265   0.945  1.00  0.00           C  
HETATM   41  C   UNL     1       2.530   1.079  -0.173  1.00  0.00           C  
HETATM   42  O   UNL     1       2.151   0.718  -1.267  1.00  0.00           O  
HETATM   43  C   UNL     1       1.672   0.113   1.944  1.00  0.00           C  
HETATM   44  C   UNL     1       3.042   0.185   2.622  1.00  0.00           C  
HETATM   45  C   UNL     1       3.113   1.438   3.497  1.00  0.00           C  
HETATM   46  C   UNL     1       3.246  -1.058   3.492  1.00  0.00           C  
HETATM   47  N   UNL     1       3.840   1.313   0.043  1.00  0.00           N  
HETATM   48  C   UNL     1       4.790   1.239  -1.070  1.00  0.00           C  
HETATM   49  C   UNL     1       6.165   0.927  -0.536  1.00  0.00           C  
HETATM   50  O   UNL     1       6.333   0.780   0.656  1.00  0.00           O  
HETATM   51  C   UNL     1       4.821   2.581  -1.804  1.00  0.00           C  
HETATM   52  N   UNL     1       7.206   0.809  -1.383  1.00  0.00           N  
HETATM   53  C   UNL     1       8.542   0.506  -0.865  1.00  0.00           C  
HETATM   54  C   UNL     1       9.031  -0.788  -1.463  1.00  0.00           C  
HETATM   55  O   UNL     1       8.582  -1.175  -2.521  1.00  0.00           O  
HETATM   56  C   UNL     1       9.503   1.636  -1.238  1.00  0.00           C  
HETATM   57  C   UNL     1       9.091   2.901  -0.530  1.00  0.00           C  
HETATM   58  C   UNL     1       9.602   3.191   0.720  1.00  0.00           C  
HETATM   59  C   UNL     1       8.205   3.773  -1.135  1.00  0.00           C  
HETATM   60  C   UNL     1       9.224   4.351   1.370  1.00  0.00           C  
HETATM   61  C   UNL     1       7.827   4.934  -0.485  1.00  0.00           C  
HETATM   62  C   UNL     1       8.335   5.221   0.768  1.00  0.00           C  
HETATM   63  C   UNL     1       7.002   0.986  -2.823  1.00  0.00           C  
HETATM   64  C   UNL     1       8.870  -5.995  -2.189  1.00  0.00           C  
HETATM   65  O   UNL     1       8.400  -3.573  -1.315  1.00  0.00           O  
HETATM   66  C   UNL     1      11.910  -1.906   0.525  1.00  0.00           C  
HETATM   67  C   UNL     1      11.623  -3.204  -0.276  1.00  0.00           C  
HETATM   68  C   UNL     1      10.522  -1.219   0.511  1.00  0.00           C  
HETATM   69  O   UNL     1       9.925  -5.015  -2.005  1.00  0.00           O  
HETATM   70  C   UNL     1       9.562  -3.806  -1.551  1.00  0.00           C  
HETATM   71  C   UNL     1      10.603  -2.737  -1.336  1.00  0.00           C  
HETATM   72  N   UNL     1       9.967  -1.516  -0.822  1.00  0.00           N  
HETATM   73  H   UNL     1      -6.269  -3.411   4.021  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.273  -4.446   2.978  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.024  -5.174   4.016  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.377  -3.490   4.366  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.066  -5.703   3.535  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.931  -1.585   4.229  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.312  -6.013   2.576  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.177  -1.895   3.269  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.184  -2.142   1.627  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.267  -5.061   1.657  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.727  -0.877  -0.840  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.503   0.052  -2.144  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.277  -1.424  -1.521  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.234  -3.032  -1.609  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.756   1.107  -2.556  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.528  -0.617   0.674  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.838  -0.713  -4.100  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.817   1.057   0.896  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.266   3.648  -0.333  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.556   3.393   2.421  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.826   4.885   1.781  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.614   2.514   1.480  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.869   6.095  -0.044  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.707   3.027   0.289  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.963   6.609  -1.234  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.880   5.073  -1.071  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.605   3.876   1.494  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.685   1.352   2.440  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.584   1.079   0.274  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.079   2.558  -0.579  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.019   0.787  -0.418  1.00  0.00           H  
HETATM  104  H   UNL     1       1.733   2.210   1.452  1.00  0.00           H  
HETATM  105  H   UNL     1       0.889   0.193   2.698  1.00  0.00           H  
HETATM  106  H   UNL     1       1.576  -0.837   1.418  1.00  0.00           H  
HETATM  107  H   UNL     1       3.822   0.228   1.862  1.00  0.00           H  
HETATM  108  H   UNL     1       2.384   1.360   4.303  1.00  0.00           H  
HETATM  109  H   UNL     1       4.114   1.529   3.920  1.00  0.00           H  
HETATM  110  H   UNL     1       2.893   2.317   2.892  1.00  0.00           H  
HETATM  111  H   UNL     1       3.195  -1.950   2.868  1.00  0.00           H  
HETATM  112  H   UNL     1       4.221  -1.007   3.975  1.00  0.00           H  
HETATM  113  H   UNL     1       2.466  -1.100   4.252  1.00  0.00           H  
HETATM  114  H   UNL     1       4.153   1.531   0.934  1.00  0.00           H  
HETATM  115  H   UNL     1       4.481   0.454  -1.760  1.00  0.00           H  
HETATM  116  H   UNL     1       5.130   3.366  -1.114  1.00  0.00           H  
HETATM  117  H   UNL     1       5.529   2.525  -2.632  1.00  0.00           H  
HETATM  118  H   UNL     1       3.827   2.807  -2.190  1.00  0.00           H  
HETATM  119  H   UNL     1       8.497   0.410   0.220  1.00  0.00           H  
HETATM  120  H   UNL     1      10.516   1.365  -0.939  1.00  0.00           H  
HETATM  121  H   UNL     1       9.474   1.796  -2.316  1.00  0.00           H  
HETATM  122  H   UNL     1      10.298   2.511   1.191  1.00  0.00           H  
HETATM  123  H   UNL     1       7.809   3.549  -2.114  1.00  0.00           H  
HETATM  124  H   UNL     1       9.623   4.577   2.348  1.00  0.00           H  
HETATM  125  H   UNL     1       7.135   5.616  -0.957  1.00  0.00           H  
HETATM  126  H   UNL     1       8.039   6.128   1.276  1.00  0.00           H  
HETATM  127  H   UNL     1       7.142   2.035  -3.084  1.00  0.00           H  
HETATM  128  H   UNL     1       7.721   0.376  -3.370  1.00  0.00           H  
HETATM  129  H   UNL     1       5.990   0.678  -3.088  1.00  0.00           H  
HETATM  130  H   UNL     1       9.299  -6.926  -2.559  1.00  0.00           H  
HETATM  131  H   UNL     1       8.373  -6.177  -1.236  1.00  0.00           H  
HETATM  132  H   UNL     1       8.145  -5.617  -2.910  1.00  0.00           H  
HETATM  133  H   UNL     1      12.222  -2.137   1.543  1.00  0.00           H  
HETATM  134  H   UNL     1      12.656  -1.293   0.019  1.00  0.00           H  
HETATM  135  H   UNL     1      12.531  -3.574  -0.751  1.00  0.00           H  
HETATM  136  H   UNL     1      11.186  -3.967   0.369  1.00  0.00           H  
HETATM  137  H   UNL     1       9.884  -1.636   1.289  1.00  0.00           H  
HETATM  138  H   UNL     1      10.631  -0.142   0.645  1.00  0.00           H  
HETATM  139  H   UNL     1      11.115  -2.525  -2.275  1.00  0.00           H  
CONECT    1    9   73   74   75                                       
CONECT    2    3    3    4   76                                       
CONECT    3    2    2    5   77                                       
CONECT    4    2    6    6   78                                       
CONECT    5    3    8    8   79                                       
CONECT    6    4    4    8   80                                       
CONECT    7    9   81   19                                            
CONECT    8    5    5    6    9                                       
CONECT    9    1    7    8   82                                       
CONECT   10   24   83   84   85                                       
CONECT   11   19   19                                                 
CONECT   12   20   20                                                 
CONECT   13   24   24                                                 
CONECT   14   24   24                                                 
CONECT   15   21   21   22   86                                       
CONECT   16   21   23   23   87                                       
CONECT   17   22   22   23   88                                       
CONECT   18   21   24   89                                            
CONECT   19   11   11   22    7                                       
CONECT   20   12   12   23   25                                       
CONECT   21   15   15   16   18                                       
CONECT   22   15   17   17   19                                       
CONECT   23   16   16   17   20                                       
CONECT   24   10   13   13   14                                       
CONECT   24   14   18                                                 
CONECT   25   26   90   20                                            
CONECT   26   25   27   34   91                                       
CONECT   27   26   28   92   93                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28   31   94                                       
CONECT   30   28   32   32   95                                       
CONECT   31   29   33   33   96                                       
CONECT   32   30   30   33   97                                       
CONECT   33   31   31   32   98                                       
CONECT   34   26   35   36   99                                       
CONECT   35   34  100                                                 
CONECT   36   34   37  101  102                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   40  103   37                                            
CONECT   40   39   41   43  104                                       
CONECT   41   40   42   42   47                                       
CONECT   42   41   41                                                 
CONECT   43   40   44  105  106                                       
CONECT   44   43   45   46  107                                       
CONECT   45   44  108  109  110                                       
CONECT   46   44  111  112  113                                       
CONECT   47   48  114   41                                            
CONECT   48   47   49   51  115                                       
CONECT   49   48   50   50   52                                       
CONECT   50   49   49                                                 
CONECT   51   48  116  117  118                                       
CONECT   52   53   63   49                                            
CONECT   53   52   54   56  119                                       
CONECT   54   53   55   55   72                                       
CONECT   55   54   54                                                 
CONECT   56   53   57  120  121                                       
CONECT   57   56   58   58   59                                       
CONECT   58   57   57   60  122                                       
CONECT   59   57   61   61  123                                       
CONECT   60   58   62   62  124                                       
CONECT   61   59   59   62  125                                       
CONECT   62   60   60   61  126                                       
CONECT   63   52  127  128  129                                       
CONECT   64   69  130  131  132                                       
CONECT   65   70   70                                                 
CONECT   66   67   68  133  134                                       
CONECT   67   66   71  135  136                                       
CONECT   68   66   72  137  138                                       
CONECT   69   64   70                                                 
CONECT   70   65   65   69   71                                       
CONECT   71   67   70   72  139                                       
CONECT   72   68   71   54                                            
CONECT   73    1                                                      
CONECT   74    1                                                      
CONECT   75    1                                                      
CONECT   76    2                                                      
CONECT   77    3                                                      
CONECT   78    4                                                      
CONECT   79    5                                                      
CONECT   80    6                                                      
CONECT   81    7                                                      
CONECT   82    9                                                      
CONECT   83   10                                                      
CONECT   84   10                                                      
CONECT   85   10                                                      
CONECT   86   15                                                      
CONECT   87   16                                                      
CONECT   88   17                                                      
CONECT   89   18                                                      
CONECT   90   25                                                      
CONECT   91   26                                                      
CONECT   92   27                                                      
CONECT   93   27                                                      
CONECT   94   29                                                      
CONECT   95   30                                                      
CONECT   96   31                                                      
CONECT   97   32                                                      
CONECT   98   33                                                      
CONECT   99   34                                                      
CONECT  100   35                                                      
CONECT  101   36                                                      
CONECT  102   36                                                      
CONECT  103   39                                                      
CONECT  104   40                                                      
CONECT  105   43                                                      
CONECT  106   43                                                      
CONECT  107   44                                                      
CONECT  108   45                                                      
CONECT  109   45                                                      
CONECT  110   45                                                      
CONECT  111   46                                                      
CONECT  112   46                                                      
CONECT  113   46                                                      
CONECT  114   47                                                      
CONECT  115   48                                                      
CONECT  116   51                                                      
CONECT  117   51                                                      
CONECT  118   51                                                      
CONECT  119   53                                                      
CONECT  120   56                                                      
CONECT  121   56                                                      
CONECT  122   58                                                      
CONECT  123   59                                                      
CONECT  124   60                                                      
CONECT  125   61                                                      
CONECT  126   62                                                      
CONECT  127   63                                                      
CONECT  128   63                                                      
CONECT  129   63                                                      
CONECT  130   64                                                      
CONECT  131   64                                                      
CONECT  132   64                                                      
CONECT  133   66                                                      
CONECT  134   66                                                      
CONECT  135   67                                                      
CONECT  136   67                                                      
CONECT  137   68                                                      
CONECT  138   68                                                      
CONECT  139   71                                                      
MASTER        0    0    0    0    0    0    0    0  139    0  139    0
END
