COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.865  -2.330   1.867  1.00  0.00           N  
HETATM    2  C   UNL     1      -6.489  -1.614   0.797  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.528  -0.672   0.877  1.00  0.00           C  
HETATM    4  O   UNL     1      -3.115  -0.493  -0.139  1.00  0.00           O  
HETATM    5  C   UNL     1      -4.107  -2.175  -1.481  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.022  -1.060  -0.893  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.140   0.050  -1.468  1.00  0.00           C  
HETATM    8  C   UNL     1       0.771   1.424  -0.900  1.00  0.00           C  
HETATM    9  C   UNL     1       1.735   1.734   0.247  1.00  0.00           C  
HETATM   10  C   UNL     1       2.908   2.645  -0.157  1.00  0.00           C  
HETATM   11  C   UNL     1       5.025   1.460  -0.020  1.00  0.00           C  
HETATM   12  C   UNL     1       8.268  -0.147   1.224  1.00  0.00           C  
HETATM   13  C   UNL     1       7.871  -1.179   2.054  1.00  0.00           C  
HETATM   14  C   UNL     1       8.764  -1.722   2.958  1.00  0.00           C  
HETATM   15  C   UNL     1      10.055  -1.233   3.032  1.00  0.00           C  
HETATM   16  C   UNL     1      10.452  -0.202   2.202  1.00  0.00           C  
HETATM   17  C   UNL     1       9.560   0.337   1.294  1.00  0.00           C  
HETATM   18  C   UNL     1       7.052  -0.535  -0.880  1.00  0.00           C  
HETATM   19  C   UNL     1       7.454  -0.229  -2.167  1.00  0.00           C  
HETATM   20  C   UNL     1       7.238  -1.130  -3.192  1.00  0.00           C  
HETATM   21  C   UNL     1       6.619  -2.339  -2.931  1.00  0.00           C  
HETATM   22  C   UNL     1       6.218  -2.646  -1.644  1.00  0.00           C  
HETATM   23  C   UNL     1       6.433  -1.744  -0.619  1.00  0.00           C  
HETATM   24  C   UNL     1       2.793   0.640   0.480  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.262   1.580   0.404  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.946   2.581  -0.530  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.606   4.425  -0.837  1.00  0.00           O  
HETATM   28  C   UNL     1      -3.426   4.569  -0.621  1.00  0.00           C  
HETATM   29  OXT UNL     1      -2.754   5.576  -1.200  1.00  0.00           O  
HETATM   30  CA  UNL     1      -2.708   3.616   0.300  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.685   2.933   1.157  1.00  0.00           N  
HETATM   32  N   UNL     1      -0.392   0.694  -0.380  1.00  0.00           N  
HETATM   33  C   UNL     1      -2.699  -1.855  -2.032  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.980  -3.061  -2.296  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.300  -3.588  -1.388  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.114  -1.534  -0.075  1.00  0.00           C  
HETATM   37  N   UNL     1      -5.430  -0.961   0.218  1.00  0.00           N  
HETATM   38  N   UNL     1      -6.697  -2.845   1.252  1.00  0.00           N  
HETATM   39  C   UNL     1      -7.859  -3.181   1.771  1.00  0.00           C  
HETATM   40  C   UNL     1      -5.828   0.317  -0.037  1.00  0.00           C  
HETATM   41  N   UNL     1      -7.059   0.485   0.351  1.00  0.00           N  
HETATM   42  C   UNL     1      -8.750  -1.078   1.439  1.00  0.00           C  
HETATM   43  N   UNL     1      -9.810  -0.194   1.543  1.00  0.00           N  
HETATM   44  N   UNL     1       3.756   1.749   0.661  1.00  0.00           N  
HETATM   45  C   UNL     1       5.971   0.746   0.947  1.00  0.00           C  
HETATM   46  C   UNL     1       7.293   0.445   0.239  1.00  0.00           C  
HETATM   47  H   UNL     1      -4.875  -1.726  -2.111  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.432  -1.726  -0.264  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.440  -0.377  -2.186  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.765   0.790  -1.967  1.00  0.00           H  
HETATM   51  H   UNL     1       0.440   2.356  -1.358  1.00  0.00           H  
HETATM   52  H   UNL     1       1.280   0.813  -1.646  1.00  0.00           H  
HETATM   53  H   UNL     1       1.224   2.053   1.156  1.00  0.00           H  
HETATM   54  H   UNL     1       3.139   2.617  -1.222  1.00  0.00           H  
HETATM   55  H   UNL     1       2.832   3.658   0.237  1.00  0.00           H  
HETATM   56  H   UNL     1       4.838   0.822  -0.883  1.00  0.00           H  
HETATM   57  H   UNL     1       5.481   2.394  -0.350  1.00  0.00           H  
HETATM   58  H   UNL     1       6.862  -1.561   1.996  1.00  0.00           H  
HETATM   59  H   UNL     1       8.454  -2.528   3.607  1.00  0.00           H  
HETATM   60  H   UNL     1      10.752  -1.654   3.742  1.00  0.00           H  
HETATM   61  H   UNL     1      11.461   0.180   2.260  1.00  0.00           H  
HETATM   62  H   UNL     1       9.871   1.143   0.645  1.00  0.00           H  
HETATM   63  H   UNL     1       7.937   0.715  -2.371  1.00  0.00           H  
HETATM   64  H   UNL     1       7.551  -0.890  -4.197  1.00  0.00           H  
HETATM   65  H   UNL     1       6.450  -3.043  -3.732  1.00  0.00           H  
HETATM   66  H   UNL     1       5.734  -3.590  -1.440  1.00  0.00           H  
HETATM   67  H   UNL     1       6.119  -1.983   0.386  1.00  0.00           H  
HETATM   68  H   UNL     1       2.626   0.052   1.383  1.00  0.00           H  
HETATM   69  H   UNL     1       2.990   0.026  -0.399  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.665   2.120   1.139  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.019   0.986   0.917  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.194   3.084  -1.137  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.643   2.052  -1.180  1.00  0.00           H  
HETATM   74  HXT UNL     1      -3.258   6.161  -1.783  1.00  0.00           H  
HETATM   75  HA  UNL     1      -2.005   4.171   0.921  1.00  0.00           H  
HETATM   76  H1  UNL     1      -4.272   2.315   0.616  1.00  0.00           H  
HETATM   77  H2  UNL     1      -3.225   2.433   1.903  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.771  -1.247  -2.933  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.394  -3.628  -2.961  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.245  -4.048  -2.237  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.844  -2.273   0.680  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.996  -4.190   2.132  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.212   1.079  -0.492  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.649  -0.486   1.933  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.714   0.718   1.227  1.00  0.00           H  
HETATM   86  H   UNL     1       6.159   1.384   1.811  1.00  0.00           H  
HETATM   87  H   UNL     1       5.515  -0.188   1.278  1.00  0.00           H  
HETATM   88  H   UNL     1       7.705   1.368  -0.169  1.00  0.00           H  
CONECT    1   42   42   39                                            
CONECT    2    3    3   38   37                                       
CONECT    3   42   41    2    2                                       
CONECT    4   36    6                                                 
CONECT    5   36   33   35   47                                       
CONECT    6   33    4    7   48                                       
CONECT    7    6   32   49   50                                       
CONECT    8   32    9   51   52                                       
CONECT    9    8   10   24   53                                       
CONECT   10    9   44   54   55                                       
CONECT   11   44   45   56   57                                       
CONECT   12   17   17   13   46                                       
CONECT   13   14   14   12   58                                       
CONECT   14   15   13   13   59                                       
CONECT   15   16   16   14   60                                       
CONECT   16   15   15   17   61                                       
CONECT   17   16   12   12   62                                       
CONECT   18   46   19   19   23                                       
CONECT   19   18   18   20   63                                       
CONECT   20   19   21   21   64                                       
CONECT   21   20   20   22   65                                       
CONECT   22   23   23   21   66                                       
CONECT   23   18   22   22   67                                       
CONECT   24    9   44   68   69                                       
CONECT   25   26   32   70   71                                       
CONECT   26   25   30   72   73                                       
CONECT   27   28   28                                                 
CONECT   28   30   27   27   29                                       
CONECT   29   28   74                                                 
CONECT   30   31   26   28   75                                       
CONECT   31   30   76   77                                            
CONECT   32   25    7    8                                            
CONECT   33    5    6   34   78                                       
CONECT   34   33   79                                                 
CONECT   35    5   80                                                 
CONECT   36   37    5    4   81                                       
CONECT   37    2   40   36                                            
CONECT   38   39   39    2                                            
CONECT   39    1   38   38   82                                       
CONECT   40   41   41   37   83                                       
CONECT   41    3   40   40                                            
CONECT   42   43    1    1    3                                       
CONECT   43   42   84   85                                            
CONECT   44   10   24   11                                            
CONECT   45   11   46   86   87                                       
CONECT   46   45   12   18   88                                       
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   26                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   43                                                      
CONECT   85   43                                                      
CONECT   86   45                                                      
CONECT   87   45                                                      
CONECT   88   46                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
