COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.679   4.314  -1.120  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.243   3.027  -0.762  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.984   2.884  -0.161  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.255   3.978   0.044  1.00  0.00           N  
HETATM    5  N   UNL     1      -1.877   5.349  -0.874  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.703   5.169  -0.308  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.299   2.868  -1.695  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.320   2.107  -1.149  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.333   0.634  -0.977  1.00  0.00           C  
HETATM   10  C   UNL     1       0.797   1.496   0.680  1.00  0.00           C  
HETATM   11  C   UNL     1       1.117   0.461   1.548  1.00  0.00           C  
HETATM   12  C   UNL     1       2.412   0.321   2.006  1.00  0.00           C  
HETATM   13  C   UNL     1       3.390   1.212   1.602  1.00  0.00           C  
HETATM   14  C   UNL     1       3.074   2.244   0.738  1.00  0.00           C  
HETATM   15  C   UNL     1       1.781   2.388   0.275  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.432   0.010  -0.390  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.441  -1.366  -0.232  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.351  -2.122  -0.660  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.259  -1.500  -1.243  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.249  -0.129  -1.408  1.00  0.00           C  
HETATM   21  C   UNL     1       4.802   1.057   2.104  1.00  0.00           C  
HETATM   22  C   UNL     1       5.645  -1.143   1.307  1.00  0.00           C  
HETATM   23  C   UNL     1       6.484  -1.656   0.203  1.00  0.00           C  
HETATM   24  C   UNL     1       6.869  -0.526  -0.547  1.00  0.00           C  
HETATM   25  C   UNL     1       6.251   0.635   0.127  1.00  0.00           C  
HETATM   26  C   UNL     1       6.911  -2.917  -0.182  1.00  0.00           C  
HETATM   27  C   UNL     1       7.715  -3.058  -1.303  1.00  0.00           C  
HETATM   28  C   UNL     1       8.093  -1.949  -2.038  1.00  0.00           C  
HETATM   29  C   UNL     1       7.676  -0.682  -1.662  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.209  -4.186  -0.965  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.400  -5.682  -0.708  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.348  -1.308   1.192  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.600  -1.950   1.733  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.326  -0.961   2.647  1.00  0.00           C  
HETATM   35  N   UNL     1      -3.924   4.184  -1.675  1.00  0.00           N  
HETATM   36  N   UNL     1      -0.512   1.637   0.210  1.00  0.00           N  
HETATM   37  N   UNL     1      -5.544  -1.997   0.359  1.00  0.00           N  
HETATM   38  N   UNL     1       5.554   0.194   1.189  1.00  0.00           N  
HETATM   39  O   UNL     1      -3.359  -3.473  -0.504  1.00  0.00           O  
HETATM   40  O   UNL     1       5.122  -1.816   2.171  1.00  0.00           O  
HETATM   41  O   UNL     1       6.352   1.794  -0.223  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.487  -6.167  -1.498  1.00  0.00           O  
HETATM   43  O   UNL     1      -6.065  -0.171   1.507  1.00  0.00           O  
HETATM   44  H   UNL     1      -0.079   6.032  -0.123  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.235   2.494  -2.083  1.00  0.00           H  
HETATM   46  H   UNL     1       0.354  -0.235   1.865  1.00  0.00           H  
HETATM   47  H   UNL     1       2.662  -0.484   2.682  1.00  0.00           H  
HETATM   48  H   UNL     1       3.840   2.938   0.424  1.00  0.00           H  
HETATM   49  H   UNL     1       1.535   3.195  -0.400  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.275   0.598  -0.058  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.416  -2.088  -1.573  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.398   0.353  -1.867  1.00  0.00           H  
HETATM   53  H   UNL     1       5.279   2.035   2.155  1.00  0.00           H  
HETATM   54  H   UNL     1       4.787   0.608   3.097  1.00  0.00           H  
HETATM   55  H   UNL     1       6.620  -3.786   0.389  1.00  0.00           H  
HETATM   56  H   UNL     1       8.048  -4.040  -1.604  1.00  0.00           H  
HETATM   57  H   UNL     1       8.722  -2.071  -2.907  1.00  0.00           H  
HETATM   58  H   UNL     1       7.974   0.180  -2.240  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.326  -3.836  -0.432  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.080  -4.015  -2.034  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.489  -6.216  -0.977  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.618  -5.845   0.348  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.253  -2.227   0.905  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.335  -2.842   2.301  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.231  -1.425   3.038  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.673  -0.684   3.474  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.591  -0.069   2.079  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.460   4.919  -2.011  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.090   0.860   0.143  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.728  -2.930   0.168  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.666  -7.111  -1.385  1.00  0.00           H  
CONECT    1    5   35    2    2                                       
CONECT    2    1    1    3    8                                       
CONECT    3    4    4    2   36                                       
CONECT    4    6    3    3                                            
CONECT    5    6    6    1                                            
CONECT    6    5    5    4   44                                       
CONECT    7   35    8    8   45                                       
CONECT    8    7    7    2    9                                       
CONECT    9   16    8   20   20                                       
CONECT   10   11   36   15   15                                       
CONECT   11   12   12   10   46                                       
CONECT   12   11   11   13   47                                       
CONECT   13   12   21   14   14                                       
CONECT   14   13   13   15   48                                       
CONECT   15   10   10   14   49                                       
CONECT   16   17   17    9   50                                       
CONECT   17   37   16   16   18                                       
CONECT   18   17   39   19   19                                       
CONECT   19   18   18   20   51                                       
CONECT   20    9    9   19   52                                       
CONECT   21   38   13   53   54                                       
CONECT   22   23   38   40   40                                       
CONECT   23   24   24   26   22                                       
CONECT   24   29   25   23   23                                       
CONECT   25   24   41   41   38                                       
CONECT   26   27   27   23   55                                       
CONECT   27   28   26   26   56                                       
CONECT   28   29   29   27   57                                       
CONECT   29   28   28   24   58                                       
CONECT   30   31   39   59   60                                       
CONECT   31   42   30   61   62                                       
CONECT   32   33   43   43   37                                       
CONECT   33   34   32   63   64                                       
CONECT   34   33   65   66   67                                       
CONECT   35    1    7   68                                            
CONECT   36    3   10   69                                            
CONECT   37   32   17   70                                            
CONECT   38   25   22   21                                            
CONECT   39   18   30                                                 
CONECT   40   22   22                                                 
CONECT   41   25   25                                                 
CONECT   42   31   71                                                 
CONECT   43   32   32                                                 
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   42                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
