COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.648  -2.661   4.652  1.00  0.00           C  
HETATM    2  C   UNL     1       1.454  -1.743   4.681  1.00  0.00           C  
HETATM    3  C   UNL     1       0.425   0.412   5.162  1.00  0.00           C  
HETATM    4  C   UNL     1       0.491   1.291   6.413  1.00  0.00           C  
HETATM    5  C   UNL     1       0.487   0.405   7.660  1.00  0.00           C  
HETATM    6  C   UNL     1       0.553   1.284   8.910  1.00  0.00           C  
HETATM    7  C   UNL     1       0.549   0.398  10.158  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.732  -0.435  10.187  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.798  -1.314   8.937  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.795  -0.428   7.690  1.00  0.00           C  
HETATM   11  C   UNL     1       0.428   1.298   3.915  1.00  0.00           C  
HETATM   12  C   UNL     1       0.375   0.419   2.664  1.00  0.00           C  
HETATM   13  C   UNL     1       0.211   1.303   1.426  1.00  0.00           C  
HETATM   14  C   UNL     1       1.468   2.154   1.238  1.00  0.00           C  
HETATM   15  C   UNL     1       2.668   1.242   0.972  1.00  0.00           C  
HETATM   16  C   UNL     1       1.272   3.097   0.049  1.00  0.00           C  
HETATM   17  C   UNL     1       0.007   0.433   0.212  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.863   0.069  -2.034  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.111  -0.803  -1.894  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.966  -1.708  -0.669  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.196  -2.568  -0.531  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.005   0.960  -3.240  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.301   1.284  -5.637  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.759   1.592  -5.864  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.733   0.573  -6.867  1.00  0.00           C  
HETATM   26  C   UNL     1       0.746   0.260  -6.636  1.00  0.00           C  
HETATM   27  C   UNL     1       1.314  -0.451  -7.866  1.00  0.00           C  
HETATM   28  C   UNL     1       3.458  -1.392  -8.620  1.00  0.00           C  
HETATM   29  N   UNL     1       1.587  -0.479   5.131  1.00  0.00           N  
HETATM   30  N   UNL     1      -0.707   0.894  -0.833  1.00  0.00           N  
HETATM   31  N   UNL     1      -3.291  -3.450   0.484  1.00  0.00           N  
HETATM   32  N   UNL     1      -1.162   0.418  -4.464  1.00  0.00           N  
HETATM   33  N   UNL     1      -3.701   0.699  -5.503  1.00  0.00           N  
HETATM   34  N   UNL     1       2.731  -0.751  -7.645  1.00  0.00           N  
HETATM   35  N   UNL     1       2.886  -1.734  -9.741  1.00  0.00           N  
HETATM   36  N   UNL     1       4.788  -1.674  -8.413  1.00  0.00           N  
HETATM   37  O   UNL     1       0.373  -2.140   4.300  1.00  0.00           O  
HETATM   38  O   UNL     1       1.621   2.086   3.894  1.00  0.00           O  
HETATM   39  O   UNL     1       0.485  -0.680   0.176  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.099  -2.468  -1.334  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.980   2.166  -3.110  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.084   2.645  -6.372  1.00  0.00           O  
HETATM   43  H   UNL     1       3.039  -2.781   5.663  1.00  0.00           H  
HETATM   44  H   UNL     1       2.349  -3.634   4.261  1.00  0.00           H  
HETATM   45  H   UNL     1       3.420  -2.234   4.013  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.488  -0.181   5.183  1.00  0.00           H  
HETATM   47  H   UNL     1       1.404   1.885   6.392  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.373   1.955   6.436  1.00  0.00           H  
HETATM   49  H   UNL     1       1.351  -0.258   7.636  1.00  0.00           H  
HETATM   50  H   UNL     1       1.467   1.878   8.889  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.311   1.948   8.934  1.00  0.00           H  
HETATM   52  H   UNL     1       1.414  -0.265  10.134  1.00  0.00           H  
HETATM   53  H   UNL     1       0.596   1.024  11.049  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.735  -1.067  11.076  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.597   0.227  10.211  1.00  0.00           H  
HETATM   56  H   UNL     1       0.065  -1.978   8.913  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.712  -1.908   8.958  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.659   0.235   7.713  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.841  -1.054   6.799  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.440   1.956   3.934  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.469  -0.264   2.737  1.00  0.00           H  
HETATM   62  H   UNL     1       1.300  -0.152   2.583  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.652   1.954   1.556  1.00  0.00           H  
HETATM   64  H   UNL     1       1.649   2.739   2.139  1.00  0.00           H  
HETATM   65  H   UNL     1       3.545   1.850   0.754  1.00  0.00           H  
HETATM   66  H   UNL     1       2.860   0.629   1.853  1.00  0.00           H  
HETATM   67  H   UNL     1       2.452   0.597   0.121  1.00  0.00           H  
HETATM   68  H   UNL     1       1.161   2.512  -0.863  1.00  0.00           H  
HETATM   69  H   UNL     1       0.376   3.699   0.206  1.00  0.00           H  
HETATM   70  H   UNL     1       2.138   3.753  -0.041  1.00  0.00           H  
HETATM   71  H   UNL     1       0.013  -0.566  -2.154  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.988  -0.167  -1.774  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.227  -1.417  -2.787  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.089  -2.345  -0.789  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.850  -1.094   0.224  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.755   2.212  -5.470  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.279  -0.355  -7.034  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.836   1.217  -7.740  1.00  0.00           H  
HETATM   79  H   UNL     1       1.292   1.188  -6.469  1.00  0.00           H  
HETATM   80  H   UNL     1       0.850  -0.384  -5.764  1.00  0.00           H  
HETATM   81  H   UNL     1       0.768  -1.379  -8.033  1.00  0.00           H  
HETATM   82  H   UNL     1       1.211   0.193  -8.739  1.00  0.00           H  
HETATM   83  H   UNL     1       2.451  -0.160   5.433  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.118   1.771  -0.791  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.083  -4.003   0.572  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.569  -3.530   1.126  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.183  -0.546  -4.568  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.639   0.897  -5.649  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.440  -0.142  -5.097  1.00  0.00           H  
HETATM   90  H   UNL     1       3.157  -0.496  -6.812  1.00  0.00           H  
HETATM   91  H   UNL     1       3.399  -2.187 -10.428  1.00  0.00           H  
HETATM   92  H   UNL     1       5.300  -2.127  -9.101  1.00  0.00           H  
HETATM   93  H   UNL     1       5.213  -1.419  -7.579  1.00  0.00           H  
HETATM   94  H   UNL     1       2.361   1.469   3.812  1.00  0.00           H  
CONECT    1    2   43   44   45                                       
CONECT    2    1   29   37   37                                       
CONECT    3    4   11   29   46                                       
CONECT    4    3    5   47   48                                       
CONECT    5    4    6   10   49                                       
CONECT    6    5    7   50   51                                       
CONECT    7    6    8   52   53                                       
CONECT    8    7    9   54   55                                       
CONECT    9    8   10   56   57                                       
CONECT   10    5    9   58   59                                       
CONECT   11    3   12   38   60                                       
CONECT   12   11   13   61   62                                       
CONECT   13   12   14   17   63                                       
CONECT   14   13   15   16   64                                       
CONECT   15   14   65   66   67                                       
CONECT   16   14   68   69   70                                       
CONECT   17   13   30   39   39                                       
CONECT   18   19   22   30   71                                       
CONECT   19   18   20   72   73                                       
CONECT   20   19   21   74   75                                       
CONECT   21   20   31   40   40                                       
CONECT   22   18   32   41   41                                       
CONECT   23   24   25   32   76                                       
CONECT   24   23   33   42   42                                       
CONECT   25   23   26   77   78                                       
CONECT   26   25   27   79   80                                       
CONECT   27   26   34   81   82                                       
CONECT   28   34   35   35   36                                       
CONECT   29    2    3   83                                            
CONECT   30   17   18   84                                            
CONECT   31   21   85   86                                            
CONECT   32   22   23   87                                            
CONECT   33   24   88   89                                            
CONECT   34   27   28   90                                            
CONECT   35   28   28   91                                            
CONECT   36   28   92   93                                            
CONECT   37    2    2                                                 
CONECT   38   11   94                                                 
CONECT   39   17   17                                                 
CONECT   40   21   21                                                 
CONECT   41   22   22                                                 
CONECT   42   24   24                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56    9                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   10                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   12                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   23                                                      
CONECT   77   25                                                      
CONECT   78   25                                                      
CONECT   79   26                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   38                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
