COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.225  -1.733  -0.324  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.775  -0.556  -0.828  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.966   0.499  -1.183  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.586   0.397  -1.042  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.024  -0.790  -0.533  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.860  -1.856  -0.175  1.00  0.00           C  
HETATM    7  C   UNL     1       0.379  -0.604  -0.503  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.548   1.264  -1.300  1.00  0.00           N  
HETATM    9  C   UNL     1       0.642   0.643  -0.974  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.683   2.622  -1.833  1.00  0.00           C  
HETATM   11  C   UNL     1       1.979   1.239  -1.109  1.00  0.00           C  
HETATM   12  N   UNL     1       3.070   0.540  -0.735  1.00  0.00           N  
HETATM   13  C   UNL     1       4.408   1.084  -0.980  1.00  0.00           C  
HETATM   14  C   UNL     1       5.444   0.115  -0.471  1.00  0.00           C  
HETATM   15  O   UNL     1       2.102   2.363  -1.559  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.944   3.583  -0.702  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.479   4.771   0.711  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.240   3.886  -0.341  1.00  0.00           C  
HETATM   19  C   UNL     1       0.118   4.163  -0.031  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.113   5.046   1.009  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.405   5.352   1.383  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.868   5.095   1.108  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.102   5.973   2.144  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.870   4.550   0.478  1.00  0.00           N  
HETATM   25  C   UNL     1       6.893  -1.754  -0.842  1.00  0.00           C  
HETATM   26  C   UNL     1       7.347  -1.661   0.461  1.00  0.00           C  
HETATM   27  C   UNL     1       6.844  -0.683   1.299  1.00  0.00           C  
HETATM   28  C   UNL     1       5.896   0.208   0.832  1.00  0.00           C  
HETATM   29  C   UNL     1       5.942  -0.866  -1.308  1.00  0.00           C  
HETATM   30  N   UNL     1       8.308  -2.559   0.932  1.00  0.00           N1+
HETATM   31  C   UNL     1       9.528  -2.440   0.123  1.00  0.00           C  
HETATM   32  C   UNL     1       7.788  -3.930   0.834  1.00  0.00           C  
HETATM   33  C   UNL     1       8.619  -2.253   2.335  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.039  -2.766   0.023  1.00  0.00           O  
HETATM   35  C   UNL     1      -5.378  -2.343  -0.242  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.335  -3.449   0.122  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.856  -3.518   1.401  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.734  -4.532   1.735  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.091  -5.476   0.791  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.571  -5.407  -0.488  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.696  -4.390  -0.823  1.00  0.00           C  
HETATM   42  H   UNL     1      -4.846  -0.471  -0.940  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.403   1.407  -1.573  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.437  -2.770   0.216  1.00  0.00           H  
HETATM   45  H   UNL     1       1.110  -1.324  -0.165  1.00  0.00           H  
HETATM   46  H   UNL     1       0.236   2.905  -2.346  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.516   2.655  -2.537  1.00  0.00           H  
HETATM   48  H   UNL     1       2.968  -0.323  -0.305  1.00  0.00           H  
HETATM   49  H   UNL     1       4.514   2.036  -0.459  1.00  0.00           H  
HETATM   50  H   UNL     1       4.548   1.238  -2.050  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.068   3.433  -0.865  1.00  0.00           H  
HETATM   52  H   UNL     1       1.131   3.926  -0.320  1.00  0.00           H  
HETATM   53  H   UNL     1       0.720   5.496   1.529  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.584   6.041   2.195  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.356   6.379   2.613  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.012   6.186   2.404  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.780   4.763   0.739  1.00  0.00           H  
HETATM   58  H   UNL     1       7.283  -2.521  -1.496  1.00  0.00           H  
HETATM   59  H   UNL     1       7.198  -0.611   2.317  1.00  0.00           H  
HETATM   60  H   UNL     1       5.507   0.974   1.486  1.00  0.00           H  
HETATM   61  H   UNL     1       5.589  -0.938  -2.326  1.00  0.00           H  
HETATM   62  H   UNL     1       9.298  -2.668  -0.918  1.00  0.00           H  
HETATM   63  H   UNL     1       9.914  -1.423   0.195  1.00  0.00           H  
HETATM   64  H   UNL     1      10.278  -3.140   0.490  1.00  0.00           H  
HETATM   65  H   UNL     1       8.538  -4.630   1.202  1.00  0.00           H  
HETATM   66  H   UNL     1       6.883  -4.018   1.435  1.00  0.00           H  
HETATM   67  H   UNL     1       7.557  -4.157  -0.206  1.00  0.00           H  
HETATM   68  H   UNL     1       9.005  -1.236   2.407  1.00  0.00           H  
HETATM   69  H   UNL     1       7.714  -2.341   2.935  1.00  0.00           H  
HETATM   70  H   UNL     1       9.369  -2.953   2.702  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.603  -1.457   0.351  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.482  -2.108  -1.302  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.577  -2.780   2.138  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.140  -4.587   2.735  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.776  -6.269   1.053  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.850  -6.144  -1.225  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.290  -4.335  -1.822  1.00  0.00           H  
CONECT    1    2    2    6   34                                       
CONECT    2    1    1    3   42                                       
CONECT    3    2    4    4   43                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6    6    7                                       
CONECT    6    1    5    5   44                                       
CONECT    7    5    9    9   45                                       
CONECT    8    4    9   10                                            
CONECT    9    7    7    8   11                                       
CONECT   10    8   16   46   47                                       
CONECT   11    9   12   15   15                                       
CONECT   12   11   13   48                                            
CONECT   13   12   14   49   50                                       
CONECT   14   13   28   28   29                                       
CONECT   15   11   11                                                 
CONECT   16   10   18   18   19                                       
CONECT   17   18   21   21   22                                       
CONECT   18   16   16   17   51                                       
CONECT   19   16   20   20   52                                       
CONECT   20   19   19   21   53                                       
CONECT   21   17   17   20   54                                       
CONECT   22   17   23   24   24                                       
CONECT   23   22   55   56                                            
CONECT   24   22   22   57                                            
CONECT   25   26   29   29   58                                       
CONECT   26   25   27   27   30                                       
CONECT   27   26   26   28   59                                       
CONECT   28   14   14   27   60                                       
CONECT   29   14   25   25   61                                       
CONECT   30   26   31   32   33                                       
CONECT   31   30   62   63   64                                       
CONECT   32   30   65   66   67                                       
CONECT   33   30   68   69   70                                       
CONECT   34    1   35                                                 
CONECT   35   34   36   71   72                                       
CONECT   36   35   37   37   41                                       
CONECT   37   36   36   38   73                                       
CONECT   38   37   39   39   74                                       
CONECT   39   38   38   40   75                                       
CONECT   40   39   41   41   76                                       
CONECT   41   36   40   40   77                                       
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   31                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   35                                                      
CONECT   72   35                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   39                                                      
CONECT   76   40                                                      
CONECT   77   41                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
