COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.565   0.301  -2.686  1.00  0.00           C  
HETATM    2  C   UNL     1       3.477   1.283  -1.516  1.00  0.00           C  
HETATM    3  C   UNL     1       0.000   2.712  -0.918  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.066   3.576  -0.803  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.311   3.097  -0.438  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.490   1.737  -0.185  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.164   1.345  -0.674  1.00  0.00           C  
HETATM    8  C   UNL     1       1.137   0.679  -0.878  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.824   1.227   0.213  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.425  -0.433   0.168  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.548  -2.327  -0.513  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.502  -4.281   0.403  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.105  -3.743   0.081  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.909   1.484   1.354  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.673   2.003   1.008  1.00  0.00           C  
HETATM   16  C   UNL     1       4.118   0.672  -0.297  1.00  0.00           C  
HETATM   17  C   UNL     1       6.517   0.832   1.797  1.00  0.00           C  
HETATM   18  C   UNL     1       9.137  -1.456  -0.951  1.00  0.00           C  
HETATM   19  C   UNL     1       9.376  -2.668  -0.331  1.00  0.00           C  
HETATM   20  C   UNL     1       8.535  -3.107   0.674  1.00  0.00           C  
HETATM   21  C   UNL     1       8.794  -4.429   1.349  1.00  0.00           C  
HETATM   22  C   UNL     1       7.456  -2.334   1.060  1.00  0.00           C  
HETATM   23  N   UNL     1       2.071   1.579  -1.232  1.00  0.00           N  
HETATM   24  C   UNL     1       1.450   2.908  -1.286  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.416   0.860  -0.299  1.00  0.00           C  
HETATM   26  O   UNL     1       1.337  -0.512  -0.745  1.00  0.00           O  
HETATM   27  N   UNL     1      -4.235   0.025  -0.186  1.00  0.00           N  
HETATM   28  N   UNL     1      -5.821  -1.687  -0.265  1.00  0.00           N  
HETATM   29  C   UNL     1      -7.135  -2.212   0.116  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.193  -1.711  -0.872  1.00  0.00           C  
HETATM   31  O   UNL     1      -9.442  -3.752  -0.534  1.00  0.00           O  
HETATM   32  N   UNL     1      -6.248   0.278   0.925  1.00  0.00           N  
HETATM   33 CL   UNL     1      -4.187   3.579   1.550  1.00  0.00          Cl  
HETATM   34  O   UNL     1       3.464   0.500   0.710  1.00  0.00           O  
HETATM   35  N   UNL     1       5.417   0.315  -0.326  1.00  0.00           N  
HETATM   36  CA  UNL     1       6.040  -0.279   0.860  1.00  0.00           C  
HETATM   37  O   UNL     1       7.555   1.580   1.159  1.00  0.00           O  
HETATM   38  C   UNL     1       7.217  -1.122   0.440  1.00  0.00           C  
HETATM   39  C   UNL     1       8.061  -0.680  -0.562  1.00  0.00           C  
HETATM   40  H   UNL     1       4.611   0.080  -2.897  1.00  0.00           H  
HETATM   41  H   UNL     1       3.045  -0.621  -2.426  1.00  0.00           H  
HETATM   42  H   UNL     1       3.102   0.743  -3.568  1.00  0.00           H  
HETATM   43  H   UNL     1       3.997   2.205  -1.776  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.930   4.629  -0.998  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.145   3.777  -0.349  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.844  -1.999   0.483  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.296  -2.007  -1.239  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.496  -5.369   0.338  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.784  -3.978   1.412  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.394  -4.110   0.821  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.805  -4.079  -0.911  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.589   2.056   1.968  1.00  0.00           H  
HETATM   53  H1  UNL     1       5.683   1.494   2.030  1.00  0.00           H  
HETATM   54  H2  UNL     1       6.900   0.391   2.717  1.00  0.00           H  
HETATM   55  H   UNL     1       9.794  -1.112  -1.737  1.00  0.00           H  
HETATM   56  H   UNL     1      10.219  -3.271  -0.632  1.00  0.00           H  
HETATM   57  H   UNL     1       9.444  -4.275   2.211  1.00  0.00           H  
HETATM   58  H   UNL     1       7.849  -4.860   1.680  1.00  0.00           H  
HETATM   59  H   UNL     1       9.277  -5.108   0.646  1.00  0.00           H  
HETATM   60  H   UNL     1       6.798  -2.678   1.845  1.00  0.00           H  
HETATM   61  H   UNL     1       1.528   3.312  -2.296  1.00  0.00           H  
HETATM   62  H   UNL     1       1.930   3.580  -0.575  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.553  -0.193  -0.104  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.229  -2.218  -0.820  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.385  -1.875   1.122  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.915  -2.006  -1.884  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.260  -0.624  -0.814  1.00  0.00           H  
HETATM   68  H   UNL     1       5.940   0.452  -1.131  1.00  0.00           H  
HETATM   69  HA  UNL     1       5.312  -0.904   1.378  1.00  0.00           H  
HETATM   70  H   UNL     1       7.906   2.303   1.697  1.00  0.00           H  
HETATM   71  H   UNL     1       7.875   0.267  -1.046  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    1   23   16   43                                       
CONECT    3    7    7    4   24                                       
CONECT    4    5    5    3   44                                       
CONECT    5    6    4    4   45                                       
CONECT    6    9   25   25    5                                       
CONECT    7   25    8    3    3                                       
CONECT    8   26   26    7   23                                       
CONECT    9   27    6   15   15                                       
CONECT   10   28   27   27   32                                       
CONECT   11   31   30   46   47                                       
CONECT   12   31   13   48   49                                       
CONECT   13   12   29   50   51                                       
CONECT   14   32   32   15   52                                       
CONECT   15    9    9   14   33                                       
CONECT   16    2   35   34   34                                       
CONECT   17   37   36   53   54                                       
CONECT   18   19   19   39   55                                       
CONECT   19   20   18   18   56                                       
CONECT   20   21   22   22   19                                       
CONECT   21   20   57   58   59                                       
CONECT   22   20   20   38   60                                       
CONECT   23    8    2   24                                            
CONECT   24   23    3   61   62                                       
CONECT   25    6    6    7   63                                       
CONECT   26    8    8                                                 
CONECT   27   10   10    9                                            
CONECT   28   29   10   64                                            
CONECT   29   13   30   28   65                                       
CONECT   30   11   29   66   67                                       
CONECT   31   12   11                                                 
CONECT   32   10   14   14                                            
CONECT   33   15                                                      
CONECT   34   16   16                                                 
CONECT   35   16   36   68                                            
CONECT   36   35   17   38   69                                       
CONECT   37   17   70                                                 
CONECT   38   22   36   39   39                                       
CONECT   39   38   38   18   71                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   24                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   30                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   39                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
