COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.083   2.743  -1.510  1.00  0.00           C  
HETATM    2  C   UNL     1       2.581  -2.290   0.267  1.00  0.00           C  
HETATM    3  C   UNL     1       0.159  -2.582  -0.175  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.232  -2.140  -0.355  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.848  -1.309  -0.696  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.845  -0.371  -0.419  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.554  -0.781  -0.252  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.642   0.323  -0.368  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.037   2.623   0.795  1.00  0.00           C  
HETATM   10  C   UNL     1       3.486  -1.353   3.109  1.00  0.00           C  
HETATM   11  C   UNL     1       4.047  -0.879   1.793  1.00  0.00           C  
HETATM   12  C   UNL     1       3.659  -1.281   0.569  1.00  0.00           C  
HETATM   13  C   UNL     1       5.234   0.167   0.302  1.00  0.00           C  
HETATM   14  C   UNL     1       6.226   1.063  -0.329  1.00  0.00           C  
HETATM   15  C   UNL     1       6.344   1.110  -1.719  1.00  0.00           C  
HETATM   16  C   UNL     1       7.268   1.953  -2.301  1.00  0.00           C  
HETATM   17  C   UNL     1       7.978   2.694  -0.131  1.00  0.00           C  
HETATM   18  C   UNL     1       7.055   1.859   0.463  1.00  0.00           C  
HETATM   19  C   UNL     1       1.237  -1.574   0.127  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.234  -3.078  -0.636  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.525  -2.668  -0.805  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.238  -0.867  -0.876  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.932   1.003  -0.569  1.00  0.00           C  
HETATM   24  N   UNL     1       4.403  -0.625  -0.334  1.00  0.00           N  
HETATM   25  N   UNL     1      -7.052   2.163   0.055  1.00  0.00           N  
HETATM   26  O   UNL     1       5.027   0.030   1.623  1.00  0.00           O  
HETATM   27  O   UNL     1       0.438  -3.759  -0.270  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.820   0.534  -1.255  1.00  0.00           O  
HETATM   29  O   UNL     1      -6.010   3.667   1.418  1.00  0.00           O  
HETATM   30  S   UNL     1      -4.740   1.418   0.700  1.00  0.00           S  
HETATM   31  H   UNL     1       8.807   3.399  -1.971  1.00  0.00           H  
HETATM   32  H   UNL     1       2.817  -2.805  -0.665  1.00  0.00           H  
HETATM   33  H   UNL     1       2.524  -3.015   1.078  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.093   0.677  -0.339  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.780  -0.058  -0.039  1.00  0.00           H  
HETATM   36  H   UNL     1       4.049  -2.221   3.452  1.00  0.00           H  
HETATM   37  H   UNL     1       3.565  -0.554   3.846  1.00  0.00           H  
HETATM   38  H   UNL     1       2.439  -1.627   2.980  1.00  0.00           H  
HETATM   39  H   UNL     1       5.706   0.497  -2.337  1.00  0.00           H  
HETATM   40  H   UNL     1       7.355   1.997  -3.377  1.00  0.00           H  
HETATM   41  H   UNL     1       8.620   3.309   0.480  1.00  0.00           H  
HETATM   42  H   UNL     1       6.968   1.827   1.539  1.00  0.00           H  
HETATM   43  H   UNL     1       1.001  -1.058   1.059  1.00  0.00           H  
HETATM   44  H   UNL     1       1.294  -0.849  -0.685  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.985  -4.125  -0.720  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.297  -3.391  -1.021  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.937  -1.491  -1.413  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.870   2.679  -0.026  1.00  0.00           H  
CONECT    1   16   16   17   31                                       
CONECT    2   12   19   32   33                                       
CONECT    3   27   27   19    4                                       
CONECT    4    3   20   20    7                                       
CONECT    5   21   21    6   22                                       
CONECT    6    7    7    5   34                                       
CONECT    7    4    6    6   35                                       
CONECT    8   30   22   22   23                                       
CONECT    9   30   29   29   25                                       
CONECT   10   11   36   37   38                                       
CONECT   11   26   10   12   12                                       
CONECT   12   11   11   24    2                                       
CONECT   13   14   26   24   24                                       
CONECT   14   15   15   18   13                                       
CONECT   15   16   14   14   39                                       
CONECT   16    1    1   15   40                                       
CONECT   17    1   18   18   41                                       
CONECT   18   17   17   14   42                                       
CONECT   19    2    3   43   44                                       
CONECT   20    4    4   21   45                                       
CONECT   21   20    5    5   46                                       
CONECT   22    5    8    8   47                                       
CONECT   23    8   25   28   28                                       
CONECT   24   13   13   12                                            
CONECT   25    9   23   48                                            
CONECT   26   13   11                                                 
CONECT   27    3    3                                                 
CONECT   28   23   23                                                 
CONECT   29    9    9                                                 
CONECT   30    8    9                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   22                                                      
CONECT   48   25                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
