COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.075   2.622   5.254  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.163   3.292   4.195  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.967   3.302   1.882  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.870   2.048   1.879  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.389   0.290   0.986  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.578  -1.045   1.749  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.198  -0.281   4.050  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.932   0.158   5.335  1.00  0.00           C  
HETATM    9  C   UNL     1       0.890   1.493   6.288  1.00  0.00           C  
HETATM   10  C   UNL     1       1.185   0.405   7.275  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.410   5.367   2.984  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.269   6.097   1.997  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.697   1.676  -0.517  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.646   0.593  -1.550  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.436  -2.315   3.606  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.465  -2.916   2.698  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.486   3.652   6.321  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.753   3.243   7.013  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.979   3.654   6.503  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.157   3.274   7.146  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.101   2.484   8.294  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.867   2.075   8.800  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.689   2.455   8.157  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.423   1.319  10.090  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.870   1.121  10.486  1.00  0.00           C  
HETATM   26  C   UNL     1     -10.186  -0.338  10.324  1.00  0.00           C  
HETATM   27  C   UNL     1     -11.011  -1.493   9.780  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.522   1.435   5.940  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.961   4.022   3.180  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.633   1.061   0.809  1.00  0.00           N  
HETATM   31  N   UNL     1      -1.111  -0.970   3.119  1.00  0.00           N  
HETATM   32  N   UNL     1      -6.280   2.103   8.936  1.00  0.00           N  
HETATM   33  O   UNL     1       0.404  -0.071   8.085  1.00  0.00           O  
HETATM   34  O   UNL     1       2.476   0.003   7.148  1.00  0.00           O  
HETATM   35  O   UNL     1      -2.470   5.948   1.829  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.514   6.978   1.290  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.078  -0.544  -1.433  1.00  0.00           O  
HETATM   38  O   UNL     1      -1.038   1.054  -2.674  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.308  -2.310   2.053  1.00  0.00           O  
HETATM   40  O   UNL     1      -2.336  -4.268   2.684  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.521   0.804  10.747  1.00  0.00           O  
HETATM   42  O   UNL     1     -10.417  -2.732  10.145  1.00  0.00           O  
HETATM   43  S   UNL     1      -8.497  -0.372   9.679  1.00  0.00           S  
HETATM   44  H   UNL     1      -2.025   2.337   4.789  1.00  0.00           H  
HETATM   45  H   UNL     1       0.509   3.985   4.722  1.00  0.00           H  
HETATM   46  H   UNL     1       0.510   2.580   3.712  1.00  0.00           H  
HETATM   47  H   UNL     1       0.062   3.064   1.585  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.355   3.978   1.108  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.827   1.529   2.833  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.913   2.385   1.804  1.00  0.00           H  
HETATM   51  H   UNL     1       0.413   0.890   1.428  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.010   0.002  -0.005  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.265  -1.658   1.149  1.00  0.00           H  
HETATM   54  H   UNL     1       0.382  -1.578   1.754  1.00  0.00           H  
HETATM   55  H   UNL     1       0.220   0.594   3.559  1.00  0.00           H  
HETATM   56  H   UNL     1       0.661  -0.915   4.303  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.017   0.189   5.166  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.801  -0.633   6.087  1.00  0.00           H  
HETATM   59  H   UNL     1       1.105   2.466   6.738  1.00  0.00           H  
HETATM   60  H   UNL     1       1.487   1.347   5.384  1.00  0.00           H  
HETATM   61  H   UNL     1       0.607   5.281   2.593  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.411   5.896   3.941  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.840   2.343  -0.640  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.633   2.233  -0.607  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.840  -2.238   4.619  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.531  -2.927   3.598  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.609   4.626   5.845  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.674   3.756   7.044  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.032   4.270   5.609  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.113   3.599   6.743  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.812   1.459   9.694  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.732   2.131   8.558  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.927   1.008  11.572  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.490   1.977  10.202  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.126  -0.388  11.415  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.639   0.616  10.040  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.113  -1.449   8.690  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.014  -1.463  10.219  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.151   2.438   8.511  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.538  -2.753   9.735  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.050   7.473   0.634  1.00  0.00           H  
HETATM   82  H   UNL     1       2.700  -0.711   7.782  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.998  -4.692   2.096  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.989   0.366  -3.372  1.00  0.00           H  
CONECT    1    2   17   28   44                                       
CONECT    2    1   29   45   46                                       
CONECT    3    4   29   47   48                                       
CONECT    4    3   30   49   50                                       
CONECT    5    6   30   51   52                                       
CONECT    6    5   31   53   54                                       
CONECT    7    8   31   55   56                                       
CONECT    8    7   28   57   58                                       
CONECT    9   10   28   59   60                                       
CONECT   10    9   33   33   34                                       
CONECT   11   12   29   61   62                                       
CONECT   12   11   35   35   36                                       
CONECT   13   14   30   63   64                                       
CONECT   14   13   37   37   38                                       
CONECT   15   16   31   65   66                                       
CONECT   16   15   39   39   40                                       
CONECT   17    1   18   67   68                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   69                                       
CONECT   20   19   21   21   70                                       
CONECT   21   20   20   22   32                                       
CONECT   22   21   23   23   71                                       
CONECT   23   18   22   22   72                                       
CONECT   24   25   32   41   41                                       
CONECT   25   24   43   73   74                                       
CONECT   26   27   43   75   76                                       
CONECT   27   26   42   77   78                                       
CONECT   28    1    8    9                                            
CONECT   29    2    3   11                                            
CONECT   30    4    5   13                                            
CONECT   31    6    7   15                                            
CONECT   32   21   24   79                                            
CONECT   33   10   10                                                 
CONECT   34   10   82                                                 
CONECT   35   12   12                                                 
CONECT   36   12   81                                                 
CONECT   37   14   14                                                 
CONECT   38   14   84                                                 
CONECT   39   16   16                                                 
CONECT   40   16   83                                                 
CONECT   41   24   24                                                 
CONECT   42   27   80                                                 
CONECT   43   25   26                                                 
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   15                                                      
CONECT   66   15                                                      
CONECT   67   17                                                      
CONECT   68   17                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   32                                                      
CONECT   80   42                                                      
CONECT   81   36                                                      
CONECT   82   34                                                      
CONECT   83   40                                                      
CONECT   84   38                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
