COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.919  -5.803  15.751  1.00  0.00           C  
HETATM    2  O   UNL     1       1.055  -4.293  13.887  1.00  0.00           O  
HETATM    3  C   UNL     1       0.329  -5.248  14.525  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.601  -5.433  10.641  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.846  -5.492  13.852  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.182  -6.229   2.908  1.00  0.00           O  
HETATM    7  C   UNL     1      -0.822  -4.633  12.748  1.00  0.00           C  
HETATM    8  O   UNL     1       0.148  -9.014   0.448  1.00  0.00           O  
HETATM    9  C   UNL     1       0.336  -3.923  12.795  1.00  0.00           C  
HETATM   10  OXT UNL     1       0.134  -7.132  -0.819  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.195  -5.464   7.423  1.00  0.00           C  
HETATM   12  N   UNL     1       0.691  -7.394   2.614  1.00  0.00           N  
HETATM   13  CD  UNL     1       1.794  -6.739   3.144  1.00  0.00           C  
HETATM   14  OE1 UNL     1       2.214  -5.649   2.767  1.00  0.00           O  
HETATM   15  CG  UNL     1       2.417  -7.524   4.285  1.00  0.00           C  
HETATM   16  CB  UNL     1       3.639  -6.841   4.903  1.00  0.00           C  
HETATM   17  CA  UNL     1       4.286  -7.654   6.028  1.00  0.00           C  
HETATM   18  C   UNL     1       5.500  -6.926   6.570  1.00  0.00           C  
HETATM   19  O   UNL     1       6.639  -7.291   5.927  1.00  0.00           O  
HETATM   20  OXT UNL     1       5.478  -6.074   7.449  1.00  0.00           O  
HETATM   21  N   UNL     1       3.393  -7.856   7.147  1.00  0.00           N  
HETATM   22  C   UNL     1       3.483  -8.939   8.003  1.00  0.00           C  
HETATM   23  O   UNL     1       4.310  -9.845   7.926  1.00  0.00           O  
HETATM   24  C   UNL     1       2.433  -8.916   9.098  1.00  0.00           C  
HETATM   25  C   UNL     1       2.537 -10.118  10.044  1.00  0.00           C  
HETATM   26  C   UNL     1       1.443 -10.148  11.133  1.00  0.00           C  
HETATM   27  C   UNL     1       0.039 -10.183  10.538  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.677  -9.069  10.846  1.00  0.00           O  
HETATM   29  O   UNL     1      -0.419 -11.096   9.864  1.00  0.00           O  
HETATM   30  CA  UNL     1      -0.098  -6.847   1.535  1.00  0.00           C  
HETATM   31  C   UNL     1       0.056  -7.796   0.364  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.273  -5.655   3.501  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.811  -5.774   3.103  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.575  -6.701   1.909  1.00  0.00           C  
HETATM   35  N   UNL     1      -3.440  -4.807   4.587  1.00  0.00           N  
HETATM   36  C   UNL     1      -4.736  -4.502   5.146  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.142  -5.476   6.249  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.109  -6.326   7.429  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.233  -6.315   8.515  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.427  -4.591   8.475  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.551  -4.580   9.561  1.00  0.00           C  
HETATM   42  C   UNL     1      -2.454  -5.442   9.581  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.886  -4.516  11.696  1.00  0.00           C  
HETATM   44  N   UNL     1       1.756  -6.961  15.506  1.00  0.00           N  
HETATM   45  O   UNL     1       2.874 -14.810   8.910  1.00  0.00           O  
HETATM   46  C   UNL     1       2.095 -14.512   9.983  1.00  0.00           C  
HETATM   47  O   UNL     1       1.307 -15.306  10.477  1.00  0.00           O  
HETATM   48  C   UNL     1       2.328 -13.095  10.458  1.00  0.00           C  
HETATM   49  C   UNL     1       1.434 -12.739  11.646  1.00  0.00           C  
HETATM   50  C   UNL     1       1.623 -11.297  12.161  1.00  0.00           C  
HETATM   51  C   UNL     1       0.673 -11.054  13.329  1.00  0.00           C  
HETATM   52  O   UNL     1      -0.462 -11.505  13.412  1.00  0.00           O  
HETATM   53  O   UNL     1       1.217 -10.252  14.281  1.00  0.00           O  
HETATM   54  C   UNL     1       3.116  -6.881  15.323  1.00  0.00           C  
HETATM   55  O   UNL     1       3.822  -5.881  15.332  1.00  0.00           O  
HETATM   56  H   UNL     1       1.552  -5.066  16.281  1.00  0.00           H  
HETATM   57  H   UNL     1       0.154  -6.122  16.484  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.610  -6.202  14.137  1.00  0.00           H  
HETATM   59  H   UNL     1       0.787  -3.160  12.178  1.00  0.00           H  
HETATM   60  HXT UNL     1       0.270  -7.698  -1.609  1.00  0.00           H  
HETATM   61  H   UNL     1       0.429  -8.296   3.001  1.00  0.00           H  
HETATM   62  HG1 UNL     1       2.672  -8.532   3.937  1.00  0.00           H  
HETATM   63  HG2 UNL     1       1.645  -7.631   5.057  1.00  0.00           H  
HETATM   64  HB1 UNL     1       3.328  -5.864   5.295  1.00  0.00           H  
HETATM   65  HB2 UNL     1       4.380  -6.635   4.121  1.00  0.00           H  
HETATM   66  HA  UNL     1       4.585  -8.654   5.697  1.00  0.00           H  
HETATM   67  H   UNL     1       7.452  -6.823   6.216  1.00  0.00           H  
HETATM   68  H   UNL     1       2.664  -7.168   7.312  1.00  0.00           H  
HETATM   69  H   UNL     1       1.444  -8.858   8.631  1.00  0.00           H  
HETATM   70  H   UNL     1       2.563  -7.991   9.673  1.00  0.00           H  
HETATM   71  H   UNL     1       3.530 -10.093  10.507  1.00  0.00           H  
HETATM   72  H   UNL     1       2.485 -11.040   9.453  1.00  0.00           H  
HETATM   73  H   UNL     1       1.507  -9.190  11.668  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.590  -9.046  10.490  1.00  0.00           H  
HETATM   75  HA  UNL     1       0.362  -5.886   1.283  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.224  -6.101   3.969  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.470  -4.766   2.840  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.130  -6.304   1.048  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.004  -7.689   2.119  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.617  -4.383   5.005  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.455  -4.551   4.322  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.704  -3.470   5.510  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.146  -5.218   6.609  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.220  -6.494   5.845  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.929  -7.009   6.604  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.381  -6.989   8.525  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.279  -3.916   8.468  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.729  -3.899  10.388  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.874  -4.744  12.110  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.918  -3.499  11.289  1.00  0.00           H  
HETATM   91  H   UNL     1       1.317  -7.874  15.469  1.00  0.00           H  
HETATM   92  H   UNL     1       2.760 -15.717   8.555  1.00  0.00           H  
HETATM   93  H   UNL     1       3.380 -13.002  10.748  1.00  0.00           H  
HETATM   94  H   UNL     1       2.123 -12.431   9.614  1.00  0.00           H  
HETATM   95  H   UNL     1       1.661 -13.431  12.470  1.00  0.00           H  
HETATM   96  H   UNL     1       0.385 -12.933  11.394  1.00  0.00           H  
HETATM   97  H   UNL     1       2.637 -11.263  12.584  1.00  0.00           H  
HETATM   98  H   UNL     1       0.637 -10.054  15.047  1.00  0.00           H  
HETATM   99  H   UNL     1       3.540  -7.885  15.154  1.00  0.00           H  
CONECT    1    3   44   56   57                                       
CONECT    2    3    9                                                 
CONECT    3    1    2    5    5                                       
CONECT    4   42   43                                                 
CONECT    5    3    3    7   58                                       
CONECT    6   32   32                                                 
CONECT    7    5    9    9   43                                       
CONECT    8   31   31                                                 
CONECT    9    2    7    7   59                                       
CONECT   10   31   60                                                 
CONECT   11   37   38   38   40                                       
CONECT   12   13   30   61                                            
CONECT   13   12   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   62   63                                       
CONECT   16   15   17   64   65                                       
CONECT   17   16   18   21   66                                       
CONECT   18   17   19   20   20                                       
CONECT   19   18   67                                                 
CONECT   20   18   18                                                 
CONECT   21   17   22   68                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   69   70                                       
CONECT   25   24   26   71   72                                       
CONECT   26   25   27   50   73                                       
CONECT   27   26   28   29   29                                       
CONECT   28   27   74                                                 
CONECT   29   27   27                                                 
CONECT   30   12   31   34   75                                       
CONECT   31    8    8   10   30                                       
CONECT   32    6    6   33   35                                       
CONECT   33   32   34   76   77                                       
CONECT   34   30   33   78   79                                       
CONECT   35   32   36   80                                            
CONECT   36   35   37   81   82                                       
CONECT   37   11   36   83   84                                       
CONECT   38   11   11   39   85                                       
CONECT   39   38   42   42   86                                       
CONECT   40   11   41   41   87                                       
CONECT   41   40   40   42   88                                       
CONECT   42    4   39   39   41                                       
CONECT   43    4    7   89   90                                       
CONECT   44    1   54   91                                            
CONECT   45   46   92                                                 
CONECT   46   45   47   47   48                                       
CONECT   47   46   46                                                 
CONECT   48   46   49   93   94                                       
CONECT   49   48   50   95   96                                       
CONECT   50   26   49   51   97                                       
CONECT   51   50   52   52   53                                       
CONECT   52   51   51                                                 
CONECT   53   51   98                                                 
CONECT   54   44   55   55   99                                       
CONECT   55   54   54                                                 
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    5                                                      
CONECT   59    9                                                      
CONECT   60   10                                                      
CONECT   61   12                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   17                                                      
CONECT   67   19                                                      
CONECT   68   21                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   28                                                      
CONECT   75   30                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   41                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   48                                                      
CONECT   94   48                                                      
CONECT   95   49                                                      
CONECT   96   49                                                      
CONECT   97   50                                                      
CONECT   98   53                                                      
CONECT   99   54                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
