COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.473  -2.309   0.305  1.00  0.00           C  
HETATM    2  C   UNL     1       8.572   4.845   2.465  1.00  0.00           C  
HETATM    3  C   UNL     1       7.268   2.898   1.959  1.00  0.00           C  
HETATM    4  C   UNL     1       6.858   1.842   1.148  1.00  0.00           C  
HETATM    5  C   UNL     1       7.415   1.677  -0.088  1.00  0.00           C  
HETATM    6  C   UNL     1       6.987   0.543  -0.984  1.00  0.00           C  
HETATM    7  C   UNL     1       7.930  -0.620  -0.807  1.00  0.00           C  
HETATM    8  C   UNL     1       6.611  -1.560   0.951  1.00  0.00           C  
HETATM    9  C   UNL     1       3.194  -3.171   0.327  1.00  0.00           C  
HETATM   10  C   UNL     1       1.988  -3.177   1.268  1.00  0.00           C  
HETATM   11  C   UNL     1       0.380  -1.734   2.306  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.041  -0.267   2.417  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.915   1.561   1.137  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.377   1.946  -0.270  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.058   1.476  -1.913  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.297   0.615  -2.170  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.552   0.373  -1.280  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.646   0.768  -0.322  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.885  -0.092  -0.578  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.995   0.310   0.394  1.00  0.00           C  
HETATM   21  C   UNL     1     -11.234  -0.550   0.138  1.00  0.00           C  
HETATM   22  C   UNL     1     -12.345  -0.148   1.110  1.00  0.00           C  
HETATM   23  C   UNL     1     -14.618   1.286   1.436  1.00  0.00           C  
HETATM   24  C   UNL     1     -14.899  -0.181   1.058  1.00  0.00           C  
HETATM   25  C   UNL     1     -14.774  -0.941  -1.100  1.00  0.00           C  
HETATM   26  C   UNL     1     -13.611  -0.994   0.873  1.00  0.00           C  
HETATM   27  C   UNL     1       8.689  -2.533   0.098  1.00  0.00           C  
HETATM   28  C   UNL     1       9.704  -2.337  -0.846  1.00  0.00           C  
HETATM   29  C   UNL     1      10.753  -3.247  -0.948  1.00  0.00           C  
HETATM   30  C   UNL     1      10.795  -4.345  -0.118  1.00  0.00           C  
HETATM   31  C   UNL     1       9.793  -4.545   0.820  1.00  0.00           C  
HETATM   32  C   UNL     1       8.759  -3.665   0.934  1.00  0.00           C  
HETATM   33  C   UNL     1       8.398   2.595  -0.503  1.00  0.00           C  
HETATM   34  C   UNL     1       8.768   3.647   0.373  1.00  0.00           C  
HETATM   35  C   UNL     1       9.750   4.564  -0.039  1.00  0.00           C  
HETATM   36  C   UNL     1      10.327   4.432  -1.265  1.00  0.00           C  
HETATM   37  C   UNL     1       9.961   3.398  -2.124  1.00  0.00           C  
HETATM   38  C   UNL     1       9.014   2.490  -1.760  1.00  0.00           C  
HETATM   39  N   UNL     1       8.181   3.755   1.569  1.00  0.00           N1+
HETATM   40  N   UNL     1       7.766  -1.554   0.050  1.00  0.00           N1+
HETATM   41  N   UNL     1       4.300  -2.443   0.955  1.00  0.00           N  
HETATM   42  N   UNL     1      -5.360   1.000  -1.238  1.00  0.00           N  
HETATM   43  N   UNL     1     -15.541  -0.226  -0.265  1.00  0.00           N  
HETATM   44  N   UNL     1     -13.655  -1.416  -0.535  1.00  0.00           N  
HETATM   45  O   UNL     1       5.612  -2.785  -0.801  1.00  0.00           O  
HETATM   46  O   UNL     1       1.512  -1.840   1.440  1.00  0.00           O  
HETATM   47  O   UNL     1      -0.495   0.195   1.143  1.00  0.00           O  
HETATM   48  O   UNL     1      -2.542   1.191  -0.611  1.00  0.00           O  
HETATM   49  O   UNL     1      -6.745  -0.511  -2.088  1.00  0.00           O  
HETATM   50  O   UNL     1     -15.066  -1.140  -2.263  1.00  0.00           O  
HETATM   51  S   UNL     1     -12.928   1.561   0.764  1.00  0.00           S  
HETATM   52  S   UNL     1       9.345  -0.858  -1.731  1.00  0.00           S  
HETATM   53  H   UNL     1       7.942   5.715   2.276  1.00  0.00           H  
HETATM   54  H   UNL     1       8.450   4.527   3.500  1.00  0.00           H  
HETATM   55  H   UNL     1       9.615   5.107   2.285  1.00  0.00           H  
HETATM   56  H   UNL     1       6.819   3.017   2.934  1.00  0.00           H  
HETATM   57  H   UNL     1       6.102   1.155   1.496  1.00  0.00           H  
HETATM   58  H   UNL     1       5.976   0.234  -0.722  1.00  0.00           H  
HETATM   59  H   UNL     1       7.009   0.873  -2.023  1.00  0.00           H  
HETATM   60  H   UNL     1       6.303  -0.535   1.154  1.00  0.00           H  
HETATM   61  H   UNL     1       6.882  -2.049   1.887  1.00  0.00           H  
HETATM   62  H   UNL     1       3.503  -4.196   0.125  1.00  0.00           H  
HETATM   63  H   UNL     1       2.923  -2.682  -0.609  1.00  0.00           H  
HETATM   64  H   UNL     1       1.197  -3.792   0.840  1.00  0.00           H  
HETATM   65  H   UNL     1       2.283  -3.585   2.234  1.00  0.00           H  
HETATM   66  H   UNL     1       0.642  -2.112   3.295  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.444  -2.319   1.900  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.847  -0.175   3.145  1.00  0.00           H  
HETATM   69  H   UNL     1       0.810   0.332   2.739  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.081   2.198   1.432  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.738   1.692   1.839  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.613   3.009  -0.297  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.583   1.731  -0.985  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.299   1.252  -2.662  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.329   2.530  -1.974  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.639   0.767  -3.194  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.047  -0.435  -2.022  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.305   0.617   0.702  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.896   1.819  -0.470  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.227   0.060  -1.602  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.635  -1.142  -0.430  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.654   0.159   1.418  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.246   1.361   0.246  1.00  0.00           H  
HETATM   84  H   UNL     1     -11.576  -0.399  -0.886  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.984  -1.601   0.286  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.004  -0.238   2.142  1.00  0.00           H  
HETATM   87  H   UNL     1     -15.337   1.952   0.958  1.00  0.00           H  
HETATM   88  H   UNL     1     -14.633   1.416   2.518  1.00  0.00           H  
HETATM   89  H   UNL     1     -15.541  -0.647   1.805  1.00  0.00           H  
HETATM   90  H   UNL     1     -13.612  -1.865   1.528  1.00  0.00           H  
HETATM   91  H   UNL     1      11.534  -3.092  -1.679  1.00  0.00           H  
HETATM   92  H   UNL     1      11.609  -5.050  -0.197  1.00  0.00           H  
HETATM   93  H   UNL     1       9.833  -5.409   1.468  1.00  0.00           H  
HETATM   94  H   UNL     1       7.988  -3.837   1.671  1.00  0.00           H  
HETATM   95  H   UNL     1      10.045   5.372   0.614  1.00  0.00           H  
HETATM   96  H   UNL     1      11.081   5.140  -1.576  1.00  0.00           H  
HETATM   97  H   UNL     1      10.434   3.316  -3.091  1.00  0.00           H  
HETATM   98  H   UNL     1       8.738   1.692  -2.434  1.00  0.00           H  
HETATM   99  H   UNL     1       4.188  -2.058   1.838  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.206   1.707  -0.592  1.00  0.00           H  
HETATM  101  H   UNL     1     -16.385   0.193  -0.496  1.00  0.00           H  
HETATM  102  H   UNL     1     -12.983  -1.952  -0.984  1.00  0.00           H  
CONECT    1    8   45   45   41                                       
CONECT    2   39   53   54   55                                       
CONECT    3   39   39    4   56                                       
CONECT    4    5    5    3   57                                       
CONECT    5   33    6    4    4                                       
CONECT    6    5    7   58   59                                       
CONECT    7    6   40   40   52                                       
CONECT    8   40    1   60   61                                       
CONECT    9   41   10   62   63                                       
CONECT   10    9   46   64   65                                       
CONECT   11   46   12   66   67                                       
CONECT   12   11   47   68   69                                       
CONECT   13   47   14   70   71                                       
CONECT   14   48   13   72   73                                       
CONECT   15   16   48   74   75                                       
CONECT   16   15   42   76   77                                       
CONECT   17   42   49   49   18                                       
CONECT   18   17   19   78   79                                       
CONECT   19   18   20   80   81                                       
CONECT   20   19   21   82   83                                       
CONECT   21   20   22   84   85                                       
CONECT   22   21   51   26   86                                       
CONECT   23   51   24   87   88                                       
CONECT   24   26   23   43   89                                       
CONECT   25   44   50   50   43                                       
CONECT   26   22   44   24   90                                       
CONECT   27   40   32   32   28                                       
CONECT   28   52   27   29   29                                       
CONECT   29   28   28   30   91                                       
CONECT   30   31   31   29   92                                       
CONECT   31   32   30   30   93                                       
CONECT   32   27   27   31   94                                       
CONECT   33   38   38   34    5                                       
CONECT   34   35   35   33   39                                       
CONECT   35   36   34   34   95                                       
CONECT   36   37   37   35   96                                       
CONECT   37   36   36   38   97                                       
CONECT   38   37   33   33   98                                       
CONECT   39   34    2    3    3                                       
CONECT   40    8    7    7   27                                       
CONECT   41    1    9   99                                            
CONECT   42   16   17  100                                            
CONECT   43   24   25  101                                            
CONECT   44   26   25  102                                            
CONECT   45    1    1                                                 
CONECT   46   10   11                                                 
CONECT   47   12   13                                                 
CONECT   48   15   14                                                 
CONECT   49   17   17                                                 
CONECT   50   25   25                                                 
CONECT   51   22   23                                                 
CONECT   52    7   28                                                 
CONECT   53    2                                                      
CONECT   54    2                                                      
CONECT   55    2                                                      
CONECT   56    3                                                      
CONECT   57    4                                                      
CONECT   58    6                                                      
CONECT   59    6                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   15                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   18                                                      
CONECT   79   18                                                      
CONECT   80   19                                                      
CONECT   81   19                                                      
CONECT   82   20                                                      
CONECT   83   20                                                      
CONECT   84   21                                                      
CONECT   85   21                                                      
CONECT   86   22                                                      
CONECT   87   23                                                      
CONECT   88   23                                                      
CONECT   89   24                                                      
CONECT   90   26                                                      
CONECT   91   29                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   32                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   41                                                      
CONECT  100   42                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
