COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.210  -0.845  -0.940  1.00  0.00           N  
HETATM    2  C   UNL     1       5.417   2.433   0.450  1.00  0.00           C  
HETATM    3  C   UNL     1       4.624   1.404  -0.040  1.00  0.00           C  
HETATM    4  C   UNL     1       3.647   0.855   0.759  1.00  0.00           C  
HETATM    5  C   UNL     1       4.903   0.936  -1.440  1.00  0.00           C  
HETATM    6  C   UNL     1       3.751   0.076  -1.952  1.00  0.00           C  
HETATM    7  C   UNL     1       3.174  -2.177  -1.143  1.00  0.00           C  
HETATM    8  C   UNL     1       2.783   0.679  -2.964  1.00  0.00           C  
HETATM    9  C   UNL     1       1.191   1.437  -0.752  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.175   1.395  -0.358  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.849   0.991   0.361  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.302   1.455   0.232  1.00  0.00           C  
HETATM   13  C   UNL     1       1.369  -2.984   0.372  1.00  0.00           C  
HETATM   14  C   UNL     1       1.777  -4.760   1.925  1.00  0.00           C  
HETATM   15  C   UNL     1       3.547  -4.016   0.494  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.262   0.764  -1.010  1.00  0.00           C  
HETATM   17  C   UNL     1       3.475   1.329   2.056  1.00  0.00           C  
HETATM   18  C   UNL     1       4.261   2.349   2.545  1.00  0.00           C  
HETATM   19  C   UNL     1       5.239   2.910   1.737  1.00  0.00           C  
HETATM   20  C   UNL     1       2.718  -0.241   0.303  1.00  0.00           C  
HETATM   21  O   UNL     1       6.017   3.922   2.206  1.00  0.00           O  
HETATM   22  C   UNL     1       2.688  -3.074  -0.074  1.00  0.00           C  
HETATM   23  C   UNL     1       3.783  -0.394  -3.403  1.00  0.00           C  
HETATM   24  C   UNL     1       1.345   0.335   0.068  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.065   1.971  -0.965  1.00  0.00           C  
HETATM   26  O   UNL     1       3.540  -2.640  -2.206  1.00  0.00           O  
HETATM   27  C   UNL     1      -1.016   0.284   0.462  1.00  0.00           C  
HETATM   28  C   UNL     1       0.243  -0.241   0.674  1.00  0.00           C  
HETATM   29  C   UNL     1       0.922  -3.825   1.370  1.00  0.00           C  
HETATM   30  S   UNL     1      -2.779   2.073  -0.626  1.00  0.00           S  
HETATM   31  C   UNL     1       3.084  -4.859   1.484  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.804   1.249  -1.215  1.00  0.00           C  
HETATM   33  N   UNL     1      -7.166  -0.100   0.194  1.00  0.00           N  
HETATM   34  C   UNL     1      -6.221   0.581   1.105  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.481  -0.267   0.828  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.372  -1.131  -0.067  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.741  -1.305   0.593  1.00  0.00           C  
HETATM   38  H   UNL     1       6.181   2.866  -0.179  1.00  0.00           H  
HETATM   39  H   UNL     1       5.019   1.801  -2.093  1.00  0.00           H  
HETATM   40  H   UNL     1       5.825   0.354  -1.449  1.00  0.00           H  
HETATM   41  H   UNL     1       1.734   0.391  -2.891  1.00  0.00           H  
HETATM   42  H   UNL     1       2.968   1.703  -3.290  1.00  0.00           H  
HETATM   43  H   UNL     1       2.053   1.884  -1.224  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.546   1.034   1.407  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.762  -0.034  -0.001  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.390   2.503   0.517  1.00  0.00           H  
HETATM   47  H   UNL     1       0.700  -2.254  -0.060  1.00  0.00           H  
HETATM   48  H   UNL     1       1.422  -5.416   2.706  1.00  0.00           H  
HETATM   49  H   UNL     1       4.568  -4.095   0.150  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.926   1.609  -0.826  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.601   0.190  -1.872  1.00  0.00           H  
HETATM   52  H   UNL     1       2.715   0.892   2.687  1.00  0.00           H  
HETATM   53  H   UNL     1       4.117   2.710   3.553  1.00  0.00           H  
HETATM   54  H   UNL     1       2.657  -1.007   1.076  1.00  0.00           H  
HETATM   55  H   UNL     1       6.827   3.625   2.641  1.00  0.00           H  
HETATM   56  H   UNL     1       4.625  -0.077  -4.017  1.00  0.00           H  
HETATM   57  H   UNL     1       3.391  -1.389  -3.618  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.185   2.835  -1.602  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.876  -0.165   0.936  1.00  0.00           H  
HETATM   60  H   UNL     1       0.367  -1.104   1.311  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.098  -3.752   1.719  1.00  0.00           H  
HETATM   62  H   UNL     1       3.744  -5.597   1.915  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.785   2.188  -1.768  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.213   0.488  -1.724  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.629  -0.157   1.646  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.770   1.208   1.809  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.358  -0.753   1.796  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.944   0.710   0.967  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.495  -0.645  -1.035  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.909  -2.108  -0.206  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.376  -1.920  -0.044  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.619  -1.791   1.561  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.204  -0.328   0.733  1.00  0.00           H  
CONECT    1   20    6    7                                            
CONECT    2   19    3    3   38                                       
CONECT    3    2    2    4    5                                       
CONECT    4   17   17    3   20                                       
CONECT    5    3    6   39   40                                       
CONECT    6    8    5   23    1                                       
CONECT    7    1   26   26   22                                       
CONECT    8    6   23   41   42                                       
CONECT    9   25   25   24   43                                       
CONECT   10   30   27   27   25                                       
CONECT   11   12   30   44   45                                       
CONECT   12   34   32   11   46                                       
CONECT   13   22   29   29   47                                       
CONECT   14   31   31   29   48                                       
CONECT   15   22   22   31   49                                       
CONECT   16   33   32   50   51                                       
CONECT   17   18    4    4   52                                       
CONECT   18   19   19   17   53                                       
CONECT   19   21   18   18    2                                       
CONECT   20   24    4    1   54                                       
CONECT   21   19   55                                                 
CONECT   22    7   15   15   13                                       
CONECT   23    8    6   56   57                                       
CONECT   24   28   28    9   20                                       
CONECT   25   10    9    9   58                                       
CONECT   26    7    7                                                 
CONECT   27   10   10   28   59                                       
CONECT   28   27   24   24   60                                       
CONECT   29   13   13   14   61                                       
CONECT   30   11   10                                                 
CONECT   31   15   14   14   62                                       
CONECT   32   12   16   63   64                                       
CONECT   33   35   34   16                                            
CONECT   34   33   12   65   66                                       
CONECT   35   36   33   67   68                                       
CONECT   36   37   35   69   70                                       
CONECT   37   36   71   72   73                                       
CONECT   38    2                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   25                                                      
CONECT   59   27                                                      
CONECT   60   28                                                      
CONECT   61   29                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
