COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.289   1.101   2.086  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.252   1.872   1.596  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.830   1.388   1.718  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.482   0.606   0.545  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.253   0.068   0.435  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.929  -0.657  -0.654  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.592  -1.242  -0.774  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.646  -0.216  -1.348  1.00  0.00           C  
HETATM    9  O   UNL     1       0.191  -0.544  -2.163  1.00  0.00           O  
HETATM   10  N   UNL     1      -0.739   1.081  -0.945  1.00  0.00           N  
HETATM   11  C   UNL     1       0.253   2.010  -1.533  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.414   3.353  -1.835  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.461   3.165  -2.902  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.183   4.220  -3.331  1.00  0.00           N  
HETATM   15  O   UNL     1      -1.655   2.065  -3.374  1.00  0.00           O  
HETATM   16  C   UNL     1       1.362   2.207  -0.542  1.00  0.00           C  
HETATM   17  O   UNL     1       1.144   2.787   0.501  1.00  0.00           O  
HETATM   18  N   UNL     1       2.600   1.742  -0.807  1.00  0.00           N  
HETATM   19  C   UNL     1       3.643   1.823   0.216  1.00  0.00           C  
HETATM   20  C   UNL     1       4.360   3.143   0.096  1.00  0.00           C  
HETATM   21  O   UNL     1       4.305   3.771  -0.941  1.00  0.00           O  
HETATM   22  N   UNL     1       5.063   3.625   1.140  1.00  0.00           N  
HETATM   23  C   UNL     1       5.760   4.908   1.023  1.00  0.00           C  
HETATM   24  C   UNL     1       6.475   5.222   2.339  1.00  0.00           C  
HETATM   25  C   UNL     1       7.204   6.562   2.217  1.00  0.00           C  
HETATM   26  C   UNL     1       4.647   0.677   0.025  1.00  0.00           C  
HETATM   27  C   UNL     1       3.934  -0.643   0.190  1.00  0.00           C  
HETATM   28  C   UNL     1       3.876  -1.525  -0.877  1.00  0.00           C  
HETATM   29  C   UNL     1       3.263  -2.753  -0.728  1.00  0.00           C  
HETATM   30  C   UNL     1       2.710  -3.105   0.496  1.00  0.00           C  
HETATM   31  O   UNL     1       2.195  -4.336   0.700  1.00  0.00           O  
HETATM   32  C   UNL     1       0.981  -4.484   0.127  1.00  0.00           C  
HETATM   33  C   UNL     1       0.312  -3.431  -0.471  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.930  -3.618  -1.039  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.525  -4.868  -1.010  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.855  -5.917  -0.415  1.00  0.00           C  
HETATM   37  C   UNL     1       0.388  -5.748   0.151  1.00  0.00           C  
HETATM   38  N   UNL     1       1.088  -6.893   0.777  1.00  0.00           N1+
HETATM   39  O   UNL     1       0.564  -7.992   0.794  1.00  0.00           O  
HETATM   40  O   UNL     1       2.188  -6.735   1.276  1.00  0.00           O1-
HETATM   41  C   UNL     1      -1.651  -2.468  -1.700  1.00  0.00           C  
HETATM   42  C   UNL     1       2.720  -2.185   1.541  1.00  0.00           C  
HETATM   43  C   UNL     1       3.326  -0.960   1.386  1.00  0.00           C  
HETATM   44  O   UNL     1      -2.434   0.237   1.317  1.00  0.00           O  
HETATM   45  C   UNL     1      -6.518   3.089   0.997  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.823   3.531   0.881  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.860   2.760   1.371  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.593   1.545   1.974  1.00  0.00           C  
HETATM   49  H   UNL     1      -7.081   0.152   2.557  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.733   0.768   2.610  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.160   2.244   1.796  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.583  -0.792  -1.359  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.240  -1.548   0.211  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.412   1.378  -0.313  1.00  0.00           H  
HETATM   55  H   UNL     1       0.655   1.584  -2.453  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.883   3.738  -0.929  1.00  0.00           H  
HETATM   57  H   UNL     1       0.337   4.062  -2.184  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.028   5.099  -2.953  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.857   4.099  -4.018  1.00  0.00           H  
HETATM   60  H   UNL     1       2.797   1.354  -1.674  1.00  0.00           H  
HETATM   61  H   UNL     1       3.189   1.746   1.203  1.00  0.00           H  
HETATM   62  H   UNL     1       5.107   3.123   1.968  1.00  0.00           H  
HETATM   63  H   UNL     1       5.039   5.696   0.805  1.00  0.00           H  
HETATM   64  H   UNL     1       6.492   4.852   0.217  1.00  0.00           H  
HETATM   65  H   UNL     1       7.197   4.435   2.557  1.00  0.00           H  
HETATM   66  H   UNL     1       5.744   5.278   3.145  1.00  0.00           H  
HETATM   67  H   UNL     1       7.935   6.506   1.411  1.00  0.00           H  
HETATM   68  H   UNL     1       6.482   7.349   1.999  1.00  0.00           H  
HETATM   69  H   UNL     1       7.713   6.785   3.155  1.00  0.00           H  
HETATM   70  H   UNL     1       5.079   0.735  -0.974  1.00  0.00           H  
HETATM   71  H   UNL     1       5.438   0.759   0.770  1.00  0.00           H  
HETATM   72  H   UNL     1       4.311  -1.251  -1.826  1.00  0.00           H  
HETATM   73  H   UNL     1       3.213  -3.438  -1.562  1.00  0.00           H  
HETATM   74  H   UNL     1       0.768  -2.452  -0.493  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.501  -5.020  -1.446  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.316  -6.893  -0.393  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.169  -2.232  -2.648  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.691  -2.742  -1.876  1.00  0.00           H  
HETATM   79  H   UNL     1       2.249  -2.435   2.480  1.00  0.00           H  
HETATM   80  H   UNL     1       3.326  -0.248   2.198  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.708   3.692   0.615  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.031   4.481   0.410  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.879   3.107   1.282  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.404   0.943   2.357  1.00  0.00           H  
CONECT    1    2   48   48   49                                       
CONECT    2    1    3   45   45                                       
CONECT    3    2    4   50   51                                       
CONECT    4    3    5                                                 
CONECT    5    4    6   44   44                                       
CONECT    6    5    7   52                                            
CONECT    7    6    8   41   53                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   54                                            
CONECT   11   10   12   16   55                                       
CONECT   12   11   13   56   57                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13   58   59                                            
CONECT   15   13   13                                                 
CONECT   16   11   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   60                                            
CONECT   19   18   20   26   61                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   62                                            
CONECT   23   22   24   63   64                                       
CONECT   24   23   25   65   66                                       
CONECT   25   24   67   68   69                                       
CONECT   26   19   27   70   71                                       
CONECT   27   26   28   28   43                                       
CONECT   28   27   27   29   72                                       
CONECT   29   28   30   30   73                                       
CONECT   30   29   29   31   42                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   33   37                                       
CONECT   33   32   32   34   74                                       
CONECT   34   33   35   35   41                                       
CONECT   35   34   34   36   75                                       
CONECT   36   35   37   37   76                                       
CONECT   37   32   36   36   38                                       
CONECT   38   37   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   38                                                      
CONECT   41    7   34   77   78                                       
CONECT   42   30   43   43   79                                       
CONECT   43   27   42   42   80                                       
CONECT   44    5    5                                                 
CONECT   45    2    2   46   81                                       
CONECT   46   45   47   47   82                                       
CONECT   47   46   46   48   83                                       
CONECT   48    1    1   47   84                                       
CONECT   49    1                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    6                                                      
CONECT   53    7                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   33                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   41                                                      
CONECT   78   41                                                      
CONECT   79   42                                                      
CONECT   80   43                                                      
CONECT   81   45                                                      
CONECT   82   46                                                      
CONECT   83   47                                                      
CONECT   84   48                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
