COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.662   4.883   0.172  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.606   3.482  -0.441  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.620   3.476  -1.610  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.685   1.176   0.292  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.780   0.129   0.945  1.00  0.00           C  
HETATM    6  C   UNL     1       0.774  -1.106   1.065  1.00  0.00           C  
HETATM    7  C   UNL     1       2.202  -1.188   0.522  1.00  0.00           C  
HETATM    8  C   UNL     1       2.934  -2.356   1.186  1.00  0.00           C  
HETATM    9  C   UNL     1       4.297  -2.514   0.563  1.00  0.00           C  
HETATM   10  C   UNL     1       5.380  -1.837   1.092  1.00  0.00           C  
HETATM   11  C   UNL     1       6.631  -1.980   0.521  1.00  0.00           C  
HETATM   12  C   UNL     1       6.798  -2.802  -0.579  1.00  0.00           C  
HETATM   13  C   UNL     1       5.715  -3.479  -1.107  1.00  0.00           C  
HETATM   14  C   UNL     1       4.466  -3.340  -0.532  1.00  0.00           C  
HETATM   15  C   UNL     1       3.947   0.444   0.047  1.00  0.00           C  
HETATM   16  C   UNL     1       5.706   1.942  -0.552  1.00  0.00           C  
HETATM   17  C   UNL     1       5.203   2.083  -1.990  1.00  0.00           C  
HETATM   18  C   UNL     1       6.770   0.844  -0.488  1.00  0.00           C  
HETATM   19  C   UNL     1       6.315   3.268  -0.092  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.081   1.049   0.847  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.306   0.056   0.835  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.069  -0.976   0.045  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.049  -2.308   0.428  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.765  -3.223  -0.329  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.471  -2.780  -1.431  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.802  -0.606  -1.066  1.00  0.00           C  
HETATM   27  N   UNL     1      -2.165   2.519   0.577  1.00  0.00           N  
HETATM   28  N   UNL     1       2.908   0.061   0.816  1.00  0.00           N  
HETATM   29  N   UNL     1      -4.949   0.179   0.295  1.00  0.00           N  
HETATM   30  N   UNL     1      -8.467  -1.504  -1.766  1.00  0.00           N  
HETATM   31  O   UNL     1       4.298  -0.247  -0.889  1.00  0.00           O  
HETATM   32  O   UNL     1       4.597   1.592   0.317  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.422   1.730   1.791  1.00  0.00           O  
HETATM   34  S   UNL     1      -0.139   0.183   0.173  1.00  0.00           S  
HETATM   35  H   UNL     1      -2.990   5.597  -0.584  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.365   4.887   1.005  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.671   5.162   0.530  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.597   3.203  -0.800  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.529   2.463  -2.004  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.982   4.139  -2.395  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.645   3.820  -1.265  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.707   1.015  -0.786  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.688   0.342   2.010  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.213  -0.862   0.808  1.00  0.00           H  
HETATM   45  H   UNL     1       0.276  -2.066   0.925  1.00  0.00           H  
HETATM   46  H   UNL     1       0.802  -0.863   2.127  1.00  0.00           H  
HETATM   47  H   UNL     1       2.172  -1.344  -0.557  1.00  0.00           H  
HETATM   48  H   UNL     1       3.042  -2.158   2.252  1.00  0.00           H  
HETATM   49  H   UNL     1       2.361  -3.273   1.042  1.00  0.00           H  
HETATM   50  H   UNL     1       5.249  -1.195   1.951  1.00  0.00           H  
HETATM   51  H   UNL     1       7.477  -1.451   0.933  1.00  0.00           H  
HETATM   52  H   UNL     1       7.775  -2.914  -1.025  1.00  0.00           H  
HETATM   53  H   UNL     1       5.846  -4.120  -1.966  1.00  0.00           H  
HETATM   54  H   UNL     1       3.620  -3.869  -0.945  1.00  0.00           H  
HETATM   55  H   UNL     1       4.446   2.865  -2.035  1.00  0.00           H  
HETATM   56  H   UNL     1       6.036   2.345  -2.642  1.00  0.00           H  
HETATM   57  H   UNL     1       4.769   1.138  -2.317  1.00  0.00           H  
HETATM   58  H   UNL     1       7.602   1.106  -1.140  1.00  0.00           H  
HETATM   59  H   UNL     1       7.128   0.744   0.536  1.00  0.00           H  
HETATM   60  H   UNL     1       6.336  -0.101  -0.815  1.00  0.00           H  
HETATM   61  H   UNL     1       5.558   4.051  -0.137  1.00  0.00           H  
HETATM   62  H   UNL     1       6.674   3.168   0.932  1.00  0.00           H  
HETATM   63  H   UNL     1       7.148   3.531  -0.744  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.814   1.018   0.762  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.255  -0.250   1.879  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.488  -2.626   1.294  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.772  -4.269  -0.060  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.032  -3.486  -2.025  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.827   0.431  -1.369  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.433   2.822   1.502  1.00  0.00           H  
HETATM   71  H   UNL     1       2.628   0.612   1.563  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.676  -0.366  -0.460  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2   27    1    3   38                                       
CONECT    3    2   39   40   41                                       
CONECT    4    5   27   20   42                                       
CONECT    5   34    4   43   44                                       
CONECT    6    7   34   45   46                                       
CONECT    7   28    8    6   47                                       
CONECT    8    9    7   48   49                                       
CONECT    9   10   10   14    8                                       
CONECT   10   11    9    9   50                                       
CONECT   11   12   12   10   51                                       
CONECT   12   11   11   13   52                                       
CONECT   13   12   14   14   53                                       
CONECT   14   13   13    9   54                                       
CONECT   15   31   31   32   28                                       
CONECT   16   19   18   17   32                                       
CONECT   17   16   55   56   57                                       
CONECT   18   16   58   59   60                                       
CONECT   19   16   61   62   63                                       
CONECT   20    4   29   33   33                                       
CONECT   21   22   29   64   65                                       
CONECT   22   23   23   26   21                                       
CONECT   23   24   22   22   66                                       
CONECT   24   25   25   23   67                                       
CONECT   25   24   24   30   68                                       
CONECT   26   30   30   22   69                                       
CONECT   27    4    2   70                                            
CONECT   28   15    7   71                                            
CONECT   29   21   20   72                                            
CONECT   30   25   26   26                                            
CONECT   31   15   15                                                 
CONECT   32   16   15                                                 
CONECT   33   20   20                                                 
CONECT   34    6    5                                                 
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   14                                                      
CONECT   55   17                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
