COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.738   1.576  -1.004  1.00  0.00           C  
HETATM    2  C   UNL     1      -9.577   0.253  -0.252  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.859   0.474   1.235  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.563  -0.774  -0.811  1.00  0.00           C  
HETATM    5  N   UNL     1      -8.205  -0.243  -0.422  1.00  0.00           N  
HETATM    6  C   UNL     1      -7.228   0.720   0.104  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.835   0.178  -0.087  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.672  -0.904  -0.610  1.00  0.00           O  
HETATM    9  N   UNL     1      -4.770   0.896   0.323  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.486   0.339   0.265  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.324  -1.037   0.289  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.058  -1.595   0.226  1.00  0.00           C  
HETATM   13  N   UNL     1      -1.908  -2.985   0.252  1.00  0.00           N1+
HETATM   14  C   UNL     1      -2.571  -3.527   1.446  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.518  -3.566  -0.952  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.945  -0.787   0.138  1.00  0.00           C  
HETATM   17  C   UNL     1       0.427  -1.402   0.037  1.00  0.00           C  
HETATM   18  C   UNL     1       1.447  -0.538   0.775  1.00  0.00           C  
HETATM   19  C   UNL     1       2.851  -1.113   0.570  1.00  0.00           C  
HETATM   20  C   UNL     1       3.859  -0.115   1.133  1.00  0.00           C  
HETATM   21  C   UNL     1       5.239  -0.726   1.282  1.00  0.00           C  
HETATM   22  N   UNL     1       6.063   0.157   2.119  1.00  0.00           N1+
HETATM   23  C   UNL     1       5.393   0.373   3.409  1.00  0.00           C  
HETATM   24  C   UNL     1       7.373  -0.466   2.346  1.00  0.00           C  
HETATM   25  C   UNL     1       5.920  -0.917  -0.040  1.00  0.00           C  
HETATM   26  O   UNL     1       6.926  -1.800  -0.128  1.00  0.00           O  
HETATM   27  C   UNL     1       5.550  -0.220  -1.163  1.00  0.00           C  
HETATM   28  C   UNL     1       6.275  -0.428  -2.426  1.00  0.00           C  
HETATM   29  O   UNL     1       7.180   0.323  -2.739  1.00  0.00           O  
HETATM   30  N   UNL     1       5.937  -1.449  -3.237  1.00  0.00           N  
HETATM   31  C   UNL     1       4.438   0.728  -1.109  1.00  0.00           C  
HETATM   32  O   UNL     1       3.966   1.186  -2.130  1.00  0.00           O  
HETATM   33  C   UNL     1       3.885   1.129   0.245  1.00  0.00           C  
HETATM   34  O   UNL     1       4.695   2.148   0.835  1.00  0.00           O  
HETATM   35  C   UNL     1       2.476   1.616   0.037  1.00  0.00           C  
HETATM   36  O   UNL     1       2.303   2.872  -0.421  1.00  0.00           O  
HETATM   37  C   UNL     1       1.387   0.881   0.278  1.00  0.00           C  
HETATM   38  C   UNL     1       0.105   1.464   0.053  1.00  0.00           C  
HETATM   39  O   UNL     1      -0.001   2.652  -0.193  1.00  0.00           O  
HETATM   40  C   UNL     1      -1.092   0.602   0.123  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.369   1.168   0.177  1.00  0.00           C  
HETATM   42  O   UNL     1      -2.520   2.517   0.148  1.00  0.00           O  
HETATM   43  H   UNL     1      -9.035   2.308  -0.606  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.537   1.418  -2.064  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.756   1.944  -0.878  1.00  0.00           H  
HETATM   46  H   UNL     1     -10.877   0.842   1.361  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.744  -0.468   1.771  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.156   1.206   1.633  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.363  -0.932  -1.870  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.449  -1.717  -0.275  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.582  -0.406  -0.685  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.091  -1.147   0.011  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.326   1.666  -0.429  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.412   0.881   1.167  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.894   1.797   0.659  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.190  -1.679   0.356  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.631  -3.276   1.418  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.454  -4.610   1.466  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.118  -3.096   2.339  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.578  -3.315  -0.979  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.026  -3.164  -1.838  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.401  -4.649  -0.932  1.00  0.00           H  
HETATM   63  H   UNL     1       0.410  -2.398   0.479  1.00  0.00           H  
HETATM   64  H   UNL     1       0.711  -1.480  -1.012  1.00  0.00           H  
HETATM   65  H   UNL     1       1.213  -0.544   1.840  1.00  0.00           H  
HETATM   66  H   UNL     1       2.940  -2.064   1.097  1.00  0.00           H  
HETATM   67  H   UNL     1       3.036  -1.263  -0.494  1.00  0.00           H  
HETATM   68  H   UNL     1       3.516   0.192   2.121  1.00  0.00           H  
HETATM   69  H   UNL     1       5.147  -1.694   1.774  1.00  0.00           H  
HETATM   70  H   UNL     1       5.313  -0.575   3.940  1.00  0.00           H  
HETATM   71  H   UNL     1       5.974   1.076   4.006  1.00  0.00           H  
HETATM   72  H   UNL     1       4.397   0.780   3.237  1.00  0.00           H  
HETATM   73  H   UNL     1       7.238  -1.423   2.851  1.00  0.00           H  
HETATM   74  H   UNL     1       7.870  -0.627   1.390  1.00  0.00           H  
HETATM   75  H   UNL     1       7.984   0.189   2.968  1.00  0.00           H  
HETATM   76  H   UNL     1       7.395  -1.848  -0.973  1.00  0.00           H  
HETATM   77  H   UNL     1       5.169  -2.004  -3.024  1.00  0.00           H  
HETATM   78  H   UNL     1       6.460  -1.631  -4.033  1.00  0.00           H  
HETATM   79  H   UNL     1       4.747   2.961   0.314  1.00  0.00           H  
HETATM   80  H   UNL     1       2.721   3.585   0.082  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.513   2.933   1.021  1.00  0.00           H  
HETATM   82  H   UNL     1       6.188   1.043   1.653  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.927  -3.217   0.278  1.00  0.00           H  
CONECT    1    2   43   44   45                                       
CONECT    2    1    3    4    5                                       
CONECT    3    2   46   47   48                                       
CONECT    4    2   49   50   51                                       
CONECT    5    2    6   52                                            
CONECT    6    5    7   53   54                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   55                                            
CONECT   10    9   11   11   41                                       
CONECT   11   10   10   12   56                                       
CONECT   12   11   13   16   16                                       
CONECT   13   12   14   15   83                                       
CONECT   14   13   57   58   59                                       
CONECT   15   13   60   61   62                                       
CONECT   16   12   12   17   40                                       
CONECT   17   16   18   63   64                                       
CONECT   18   17   19   37   65                                       
CONECT   19   18   20   66   67                                       
CONECT   20   19   21   33   68                                       
CONECT   21   20   22   25   69                                       
CONECT   22   21   23   24   82                                       
CONECT   23   22   70   71   72                                       
CONECT   24   22   73   74   75                                       
CONECT   25   21   26   27   27                                       
CONECT   26   25   76                                                 
CONECT   27   25   25   28   31                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   77   78                                            
CONECT   31   27   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   20   31   34   35                                       
CONECT   34   33   79                                                 
CONECT   35   33   36   37   37                                       
CONECT   36   35   80                                                 
CONECT   37   18   35   35   38                                       
CONECT   38   37   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   16   38   41   41                                       
CONECT   41   10   40   40   42                                       
CONECT   42   41   81                                                 
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    9                                                      
CONECT   56   11                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   23                                                      
CONECT   71   23                                                      
CONECT   72   23                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   26                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   34                                                      
CONECT   80   36                                                      
CONECT   81   42                                                      
CONECT   82   22                                                      
CONECT   83   13                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
