COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.134  -3.898  -0.725  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.229  -2.680   0.196  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.823  -2.164   0.506  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.922  -0.870   1.318  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.667   0.841   2.436  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.946  -1.444   2.550  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.764  -0.231   0.489  1.00  0.00           C  
HETATM    8  C   UNL     1       0.671   0.010   0.880  1.00  0.00           C  
HETATM    9  C   UNL     1       3.063  -0.153   0.443  1.00  0.00           C  
HETATM   10  C   UNL     1       3.987  -0.694  -0.650  1.00  0.00           C  
HETATM   11  C   UNL     1       5.444  -0.450  -0.253  1.00  0.00           C  
HETATM   12  C   UNL     1       6.312  -1.073  -1.240  1.00  0.00           C  
HETATM   13  C   UNL     1       7.806  -0.933  -0.883  1.00  0.00           C  
HETATM   14  C   UNL     1       8.265   0.444  -1.279  1.00  0.00           C  
HETATM   15  C   UNL     1       8.186   1.450  -0.115  1.00  0.00           C  
HETATM   16  C   UNL     1       6.899   1.299   0.719  1.00  0.00           C  
HETATM   17  C   UNL     1       5.682   1.070  -0.137  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.290   0.978  -0.288  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.617   0.633  -0.915  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.845  -0.329  -1.822  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.847   0.621  -1.453  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.903   1.281  -0.645  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.308   2.322   0.191  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.622   2.697   0.220  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.557   2.050  -0.574  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.179   1.019  -1.407  1.00  0.00           C  
HETATM   27  N   UNL     1      -1.575  -0.426   1.698  1.00  0.00           N1+
HETATM   28  N   UNL     1       1.668  -0.387   0.063  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.171  -0.348  -2.160  1.00  0.00           N  
HETATM   30  O   UNL     1       0.930   0.560   1.929  1.00  0.00           O  
HETATM   31  H   UNL     1      -5.135  -4.266  -0.946  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.638  -3.614  -1.653  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.559  -4.682  -0.231  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.804  -1.896  -0.298  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.725  -2.964   1.124  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.280  -2.913   1.082  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.294  -1.967  -0.426  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.402  -0.099   0.715  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.513  -1.050   2.216  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.232   0.686   3.355  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.664   1.192   2.681  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.172   1.584   1.820  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.731  -2.333   1.956  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.018  -1.050   2.963  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.623  -1.706   3.363  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.826  -1.120  -0.138  1.00  0.00           H  
HETATM   47  H   UNL     1       3.274  -0.663   1.383  1.00  0.00           H  
HETATM   48  H   UNL     1       3.232   0.917   0.565  1.00  0.00           H  
HETATM   49  H   UNL     1       3.818  -1.764  -0.771  1.00  0.00           H  
HETATM   50  H   UNL     1       3.776  -0.184  -1.590  1.00  0.00           H  
HETATM   51  H   UNL     1       5.627  -0.910   0.718  1.00  0.00           H  
HETATM   52  H   UNL     1       6.064  -2.132  -1.310  1.00  0.00           H  
HETATM   53  H   UNL     1       6.138  -0.606  -2.210  1.00  0.00           H  
HETATM   54  H   UNL     1       7.940  -1.068   0.191  1.00  0.00           H  
HETATM   55  H   UNL     1       8.384  -1.681  -1.424  1.00  0.00           H  
HETATM   56  H   UNL     1       9.297   0.386  -1.625  1.00  0.00           H  
HETATM   57  H   UNL     1       7.639   0.803  -2.096  1.00  0.00           H  
HETATM   58  H   UNL     1       9.046   1.302   0.537  1.00  0.00           H  
HETATM   59  H   UNL     1       8.225   2.461  -0.521  1.00  0.00           H  
HETATM   60  H   UNL     1       7.016   0.455   1.398  1.00  0.00           H  
HETATM   61  H   UNL     1       6.750   2.205   1.305  1.00  0.00           H  
HETATM   62  H   UNL     1       5.847   1.491  -1.128  1.00  0.00           H  
HETATM   63  H   UNL     1       4.815   1.542   0.326  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.418   1.820   0.392  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.578   1.246  -1.069  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.093  -0.991  -2.227  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.586   2.830   0.813  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.935   3.503   0.867  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.592   2.357  -0.540  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.915   0.521  -2.022  1.00  0.00           H  
HETATM   71  H   UNL     1       1.461  -0.827  -0.776  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.576  -0.957  -2.797  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3   34   35                                       
CONECT    3    2    4   36   37                                       
CONECT    4    3   27   38   39                                       
CONECT    5   27   40   41   42                                       
CONECT    6   27   43   44   45                                       
CONECT    7    8   27   18   46                                       
CONECT    8   28    7   30   30                                       
CONECT    9   10   28   47   48                                       
CONECT   10    9   11   49   50                                       
CONECT   11   17   10   12   51                                       
CONECT   12   13   11   52   53                                       
CONECT   13   14   12   54   55                                       
CONECT   14   15   13   56   57                                       
CONECT   15   14   16   58   59                                       
CONECT   16   15   17   60   61                                       
CONECT   17   16   11   62   63                                       
CONECT   18    7   19   64   65                                       
CONECT   19   22   20   20   18                                       
CONECT   20   29   19   19   66                                       
CONECT   21   26   26   22   29                                       
CONECT   22   23   23   21   19                                       
CONECT   23   24   22   22   67                                       
CONECT   24   25   25   23   68                                       
CONECT   25   24   24   26   69                                       
CONECT   26   25   21   21   70                                       
CONECT   27    4    7    5    6                                       
CONECT   28    9    8   71                                            
CONECT   29   21   20   72                                            
CONECT   30    8    8                                                 
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   20                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
