COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.387   4.668  -0.114  1.00  0.00           C  
HETATM    2  C   UNL     1       0.765   5.821   0.568  1.00  0.00           C  
HETATM    3  O   UNL     1       8.592  -4.934  -3.348  1.00  0.00           O  
HETATM    4  C   UNL     1       2.835   4.781   1.165  1.00  0.00           C  
HETATM    5  C   UNL     1       2.464   3.626   0.493  1.00  0.00           C  
HETATM    6  C   UNL     1       1.243   3.565  -0.147  1.00  0.00           C  
HETATM    7  C   UNL     1       4.933   1.178   1.475  1.00  0.00           C  
HETATM    8  C   UNL     1       5.549   0.746   2.641  1.00  0.00           C  
HETATM    9  C   UNL     1       6.715   0.003   2.555  1.00  0.00           C  
HETATM   10  C   UNL     1       7.228  -0.283   1.300  1.00  0.00           C  
HETATM   11  C   UNL     1       6.561   0.181   0.174  1.00  0.00           C  
HETATM   12  C   UNL     1       6.324   0.410  -2.178  1.00  0.00           C  
HETATM   13  C   UNL     1       8.494  -1.087   1.158  1.00  0.00           C  
HETATM   14  C   UNL     1       9.376  -3.264   0.570  1.00  0.00           C  
HETATM   15  C   UNL     1       8.991  -4.672   0.111  1.00  0.00           C  
HETATM   16  C   UNL     1      10.257  -5.488  -0.232  1.00  0.00           C  
HETATM   17  C   UNL     1      10.387  -5.243  -1.753  1.00  0.00           C  
HETATM   18  C   UNL     1       8.979  -4.918  -2.198  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.928   4.607  -0.800  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.186   5.441  -1.887  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.409   5.387  -2.528  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.383   4.509  -2.096  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.136   3.668  -1.008  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.901   3.716  -0.363  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.179   2.728  -0.547  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.336   1.764  -0.771  1.00  0.00           C  
HETATM   27  C   UNL     1       1.988   5.872   1.204  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.568   1.742  -1.415  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.566   0.915  -0.931  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.297   0.134   0.185  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.050   0.206   0.775  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.353  -0.781   0.747  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.266  -3.021   0.632  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.126  -4.380  -0.056  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.104  -5.400   0.570  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.279  -6.706   0.508  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.841  -6.237   0.488  1.00  0.00           C  
HETATM   38  C   UNL     1       1.074   2.211  -0.802  1.00  0.00           C  
HETATM   39  C   UNL     1       2.125   1.304  -0.128  1.00  0.00           C  
HETATM   40  C   UNL     1       3.202   2.317   0.313  1.00  0.00           C  
HETATM   41  C   UNL     1       4.956   1.081   3.985  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.625   2.808   0.808  1.00  0.00           C  
HETATM   43  N   UNL     1       5.446   0.883   0.291  1.00  0.00           N  
HETATM   44  N   UNL     1       8.163  -2.449   0.718  1.00  0.00           N  
HETATM   45  N   UNL     1       8.218  -4.607  -1.135  1.00  0.00           N  
HETATM   46  N   UNL     1      -5.325   2.597  -1.243  1.00  0.00           N  
HETATM   47  N   UNL     1      -6.118   1.005   0.292  1.00  0.00           N  
HETATM   48  N   UNL     1      -9.249  -2.100   0.107  1.00  0.00           N  
HETATM   49  N   UNL     1      -8.785  -4.931   0.175  1.00  0.00           N  
HETATM   50  O   UNL     1       3.791   1.906   1.549  1.00  0.00           O  
HETATM   51  O   UNL     1       7.055  -0.094  -1.059  1.00  0.00           O  
HETATM   52  O   UNL     1      -7.879  -6.937   0.721  1.00  0.00           O  
HETATM   53  O   UNL     1      -4.002   2.073   0.462  1.00  0.00           O  
HETATM   54  H   UNL     1       0.102   6.674   0.598  1.00  0.00           H  
HETATM   55  H   UNL     1       3.791   4.826   1.666  1.00  0.00           H  
HETATM   56  H   UNL     1       7.215  -0.345   3.447  1.00  0.00           H  
HETATM   57  H   UNL     1       6.826   0.120  -3.101  1.00  0.00           H  
HETATM   58  H   UNL     1       5.315  -0.001  -2.168  1.00  0.00           H  
HETATM   59  H   UNL     1       6.274   1.498  -2.119  1.00  0.00           H  
HETATM   60  H   UNL     1       9.144  -0.615   0.421  1.00  0.00           H  
HETATM   61  H   UNL     1       9.006  -1.130   2.119  1.00  0.00           H  
HETATM   62  H   UNL     1       9.894  -3.322   1.527  1.00  0.00           H  
HETATM   63  H   UNL     1      10.031  -2.807  -0.172  1.00  0.00           H  
HETATM   64  H   UNL     1       8.415  -5.176   0.887  1.00  0.00           H  
HETATM   65  H   UNL     1      11.126  -5.101   0.301  1.00  0.00           H  
HETATM   66  H   UNL     1      10.109  -6.546  -0.018  1.00  0.00           H  
HETATM   67  H   UNL     1      11.053  -4.403  -1.949  1.00  0.00           H  
HETATM   68  H   UNL     1      10.748  -6.141  -2.254  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.429   6.130  -2.230  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.605   6.035  -3.370  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.337   4.471  -2.601  1.00  0.00           H  
HETATM   72  H   UNL     1       2.286   6.767   1.730  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.744   2.363  -2.281  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.533   0.877  -1.411  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.835  -0.399   1.643  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.208  -0.886   1.822  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.340  -0.360   0.552  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.259  -2.616   0.437  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.127  -3.142   1.706  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.316  -4.283  -1.125  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.337  -5.134   1.601  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.469  -7.319   1.390  1.00  0.00           H  
HETATM   83  H   UNL     1       0.070   1.826  -0.621  1.00  0.00           H  
HETATM   84  H   UNL     1       1.263   2.283  -1.873  1.00  0.00           H  
HETATM   85  H   UNL     1       1.699   0.790   0.734  1.00  0.00           H  
HETATM   86  H   UNL     1       2.532   0.587  -0.842  1.00  0.00           H  
HETATM   87  H   UNL     1       3.967   2.417  -0.457  1.00  0.00           H  
HETATM   88  H   UNL     1       4.260   0.297   4.281  1.00  0.00           H  
HETATM   89  H   UNL     1       5.753   1.157   4.725  1.00  0.00           H  
HETATM   90  H   UNL     1       4.427   2.032   3.922  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.041   3.248   1.715  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.086   1.836   0.632  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.549   2.684   0.925  1.00  0.00           H  
HETATM   94  H   UNL     1       7.510  -2.885   1.352  1.00  0.00           H  
HETATM   95  H   UNL     1       7.278  -4.371  -1.184  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.445   3.083  -2.074  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.322  -2.483   0.218  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.964  -4.418   0.111  1.00  0.00           H  
HETATM   99  H   UNL     1     -12.013  -5.484  -0.025  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.514  -7.263  -0.400  1.00  0.00           H  
CONECT    1    2    2    6   19                                       
CONECT    2   27    1    1   54                                       
CONECT    3   18   18                                                 
CONECT    4   27   27    5   55                                       
CONECT    5    4   40    6    6                                       
CONECT    6    5    5    1   38                                       
CONECT    7    8   50   43   43                                       
CONECT    8   41    9    9    7                                       
CONECT    9    8    8   10   56                                       
CONECT   10    9   13   11   11                                       
CONECT   11   10   10   43   51                                       
CONECT   12   51   57   58   59                                       
CONECT   13   10   44   60   61                                       
CONECT   14   15   44   62   63                                       
CONECT   15   16   14   45   64                                       
CONECT   16   15   17   65   66                                       
CONECT   17   16   18   67   68                                       
CONECT   18   17   45    3    3                                       
CONECT   19    1   20   20   24                                       
CONECT   20   19   19   21   69                                       
CONECT   21   20   22   22   70                                       
CONECT   22   21   21   23   71                                       
CONECT   23   24   24   22   25                                       
CONECT   24   19   42   23   23                                       
CONECT   25   23   53   53   46                                       
CONECT   26   46   28   28   47                                       
CONECT   27    4    4    2   72                                       
CONECT   28   26   26   29   73                                       
CONECT   29   28   30   30   74                                       
CONECT   30   29   29   31   32                                       
CONECT   31   47   47   30   75                                       
CONECT   32   30   48   76   77                                       
CONECT   33   34   48   78   79                                       
CONECT   34   49   33   35   80                                       
CONECT   35   34   36   81   99                                       
CONECT   36   37   35   82  100                                       
CONECT   37   49   52   52   36                                       
CONECT   38   39    6   83   84                                       
CONECT   39   40   38   85   86                                       
CONECT   40   50    5   39   87                                       
CONECT   41    8   88   89   90                                       
CONECT   42   24   91   92   93                                       
CONECT   43    7    7   11                                            
CONECT   44   13   14   94                                            
CONECT   45   15   18   95                                            
CONECT   46   25   26   96                                            
CONECT   47   26   31   31                                            
CONECT   48   33   32   97                                            
CONECT   49   34   37   98                                            
CONECT   50    7   40                                                 
CONECT   51   11   12                                                 
CONECT   52   37   37                                                 
CONECT   53   25   25                                                 
CONECT   54    2                                                      
CONECT   55    4                                                      
CONECT   56    9                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   31                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   36                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   44                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
CONECT   97   48                                                      
CONECT   98   49                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
MASTER        0    0    0    0    0    0    0    0  100    0  100    0
END
