COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.636   2.845   0.996  1.00  0.00           C  
HETATM    2  N   UNL     1     -10.304   1.440   1.246  1.00  0.00           N  
HETATM    3  C   UNL     1     -10.939   0.723   2.354  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.385   0.786   0.430  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.769   1.451  -0.630  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.864   0.768  -1.415  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.052  -0.549   0.655  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.136  -1.160  -0.176  1.00  0.00           C  
HETATM    9  N   UNL     1      -7.579  -0.498  -1.172  1.00  0.00           N1+
HETATM   10  C   UNL     1      -6.612  -1.186  -2.031  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.227  -1.020  -1.462  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.736  -1.945  -0.560  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.466  -1.795  -0.036  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.447   0.055  -1.847  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.177   0.210  -1.327  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.684  -0.714  -0.417  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.434  -0.564   0.096  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.686   0.573  -0.340  1.00  0.00           C  
HETATM   19  C   UNL     1       0.684   0.573   0.340  1.00  0.00           C  
HETATM   20  O   UNL     1       1.433  -0.564  -0.097  1.00  0.00           O  
HETATM   21  C   UNL     1       2.682  -0.714   0.417  1.00  0.00           C  
HETATM   22  C   UNL     1       3.465  -1.794   0.036  1.00  0.00           C  
HETATM   23  C   UNL     1       4.734  -1.945   0.560  1.00  0.00           C  
HETATM   24  C   UNL     1       3.180   0.217   1.317  1.00  0.00           C  
HETATM   25  C   UNL     1       4.450   0.062   1.838  1.00  0.00           C  
HETATM   26  C   UNL     1       5.225  -1.020   1.462  1.00  0.00           C  
HETATM   27  C   UNL     1       6.610  -1.186   2.032  1.00  0.00           C  
HETATM   28  N   UNL     1       7.578  -0.498   1.173  1.00  0.00           N1+
HETATM   29  C   UNL     1       7.863   0.768   1.415  1.00  0.00           C  
HETATM   30  C   UNL     1       8.768   1.451   0.631  1.00  0.00           C  
HETATM   31  C   UNL     1       9.384   0.786  -0.429  1.00  0.00           C  
HETATM   32  N   UNL     1      10.303   1.440  -1.244  1.00  0.00           N  
HETATM   33  C   UNL     1      10.636   2.844  -0.994  1.00  0.00           C  
HETATM   34  C   UNL     1      10.939   0.723  -2.352  1.00  0.00           C  
HETATM   35  C   UNL     1       9.055  -0.551  -0.651  1.00  0.00           C  
HETATM   36  C   UNL     1       8.143  -1.163   0.183  1.00  0.00           C  
HETATM   37  H   UNL     1      -9.956   3.484   1.559  1.00  0.00           H  
HETATM   38  H   UNL     1     -10.537   3.058  -0.069  1.00  0.00           H  
HETATM   39  H   UNL     1     -11.661   3.037   1.311  1.00  0.00           H  
HETATM   40  H   UNL     1     -11.859   0.254   2.004  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.260  -0.043   2.728  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.172   1.425   3.155  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.999   2.487  -0.834  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.503  -1.097   1.469  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.383   1.275  -2.238  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.872  -2.194  -0.009  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.860  -2.247  -2.080  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.647  -0.758  -3.033  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.345  -2.786  -0.264  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.832   0.774  -2.555  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.083  -2.517   0.668  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.568   1.049  -1.629  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.555   0.528  -1.422  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.222   1.484  -0.077  1.00  0.00           H  
HETATM   55  H   UNL     1       1.221   1.484   0.076  1.00  0.00           H  
HETATM   56  H   UNL     1       0.553   0.528   1.421  1.00  0.00           H  
HETATM   57  H   UNL     1       3.081  -2.518  -0.668  1.00  0.00           H  
HETATM   58  H   UNL     1       2.575   1.061   1.611  1.00  0.00           H  
HETATM   59  H   UNL     1       5.344  -2.786   0.264  1.00  0.00           H  
HETATM   60  H   UNL     1       4.838   0.786   2.539  1.00  0.00           H  
HETATM   61  H   UNL     1       6.645  -0.759   3.034  1.00  0.00           H  
HETATM   62  H   UNL     1       6.858  -2.247   2.080  1.00  0.00           H  
HETATM   63  H   UNL     1       7.381   1.275   2.238  1.00  0.00           H  
HETATM   64  H   UNL     1       7.885  -2.200   0.021  1.00  0.00           H  
HETATM   65  H   UNL     1       8.997   2.487   0.835  1.00  0.00           H  
HETATM   66  H   UNL     1       9.510  -1.100  -1.462  1.00  0.00           H  
HETATM   67  H   UNL     1      11.480   2.901  -0.306  1.00  0.00           H  
HETATM   68  H   UNL     1      10.900   3.329  -1.934  1.00  0.00           H  
HETATM   69  H   UNL     1       9.775   3.349  -0.555  1.00  0.00           H  
HETATM   70  H   UNL     1      10.174   0.374  -3.046  1.00  0.00           H  
HETATM   71  H   UNL     1      11.623   1.393  -2.873  1.00  0.00           H  
HETATM   72  H   UNL     1      11.493  -0.131  -1.963  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2    1    3    4                                            
CONECT    3    2   40   41   42                                       
CONECT    4    2    5    5    7                                       
CONECT    5    4    4    6   43                                       
CONECT    6    5    9    9   45                                       
CONECT    7    4    8    8   44                                       
CONECT    8    7    7    9   46                                       
CONECT    9    6    6    8   10                                       
CONECT   10    9   11   47   48                                       
CONECT   11   10   12   14   14                                       
CONECT   12   11   13   13   49                                       
CONECT   13   12   12   16   51                                       
CONECT   14   11   11   15   50                                       
CONECT   15   14   16   16   52                                       
CONECT   16   13   15   15   17                                       
CONECT   17   16   18                                                 
CONECT   18   17   19   53   54                                       
CONECT   19   18   20   55   56                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   24   24                                       
CONECT   22   21   23   23   57                                       
CONECT   23   22   22   26   59                                       
CONECT   24   21   21   25   58                                       
CONECT   25   24   26   26   60                                       
CONECT   26   23   25   25   27                                       
CONECT   27   26   28   61   62                                       
CONECT   28   27   29   36   36                                       
CONECT   29   28   30   30   63                                       
CONECT   30   29   29   31   65                                       
CONECT   31   30   32   35   35                                       
CONECT   32   31   33   34                                            
CONECT   33   32   67   68   69                                       
CONECT   34   32   70   71   72                                       
CONECT   35   31   31   36   66                                       
CONECT   36   28   28   35   64                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    6                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   13                                                      
CONECT   52   15                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   22                                                      
CONECT   58   24                                                      
CONECT   59   23                                                      
CONECT   60   25                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   36                                                      
CONECT   65   30                                                      
CONECT   66   35                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   33                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   34                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
