COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.060  -1.574  -1.385  1.00  0.00           N  
HETATM    2  C   UNL     1       0.720  -0.741  -0.466  1.00  0.00           C  
HETATM    3  C   UNL     1       2.709  -2.705   1.476  1.00  0.00           C  
HETATM    4  C   UNL     1       4.546  -0.702  -0.464  1.00  0.00           C  
HETATM    5  C   UNL     1       4.965   0.734  -0.278  1.00  0.00           C  
HETATM    6  C   UNL     1       5.514   1.237   0.828  1.00  0.00           C  
HETATM    7  C   UNL     1       5.514   3.179  -0.389  1.00  0.00           C  
HETATM    8  C   UNL     1       0.290   1.444   0.686  1.00  0.00           C  
HETATM    9  O   UNL     1      -7.247   2.384   0.956  1.00  0.00           O  
HETATM   10  C   UNL     1      -6.409   1.626   0.499  1.00  0.00           C  
HETATM   11  N   UNL     1      -5.426   1.175   1.298  1.00  0.00           N  
HETATM   12  C   UNL     1      -4.460   0.317   0.819  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.501  -0.096  -0.526  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.575   0.400  -1.388  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.498   1.238  -0.855  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.522  -0.966  -1.018  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.533  -1.411  -0.188  1.00  0.00           C  
HETATM   18  S   UNL     1      -1.300  -2.507  -0.807  1.00  0.00           S  
HETATM   19  O   UNL     1      -1.871  -3.158  -1.934  1.00  0.00           O  
HETATM   20  C   UNL     1       2.154  -0.692  -0.927  1.00  0.00           C  
HETATM   21  N   UNL     1       3.154  -0.863  -0.039  1.00  0.00           N  
HETATM   22  C   UNL     1       2.848  -1.210   1.351  1.00  0.00           C  
HETATM   23  O   UNL     1       2.327  -3.248   2.643  1.00  0.00           O  
HETATM   24  O   UNL     1       2.941  -3.415   0.527  1.00  0.00           O  
HETATM   25  C   UNL     1       5.817   2.587   0.767  1.00  0.00           C  
HETATM   26  S   UNL     1       4.812   2.000  -1.489  1.00  0.00           S  
HETATM   27  O   UNL     1       2.409  -0.499  -2.097  1.00  0.00           O  
HETATM   28  C   UNL     1       0.151   0.654  -0.445  1.00  0.00           C  
HETATM   29  O   UNL     1       0.945   0.963   1.776  1.00  0.00           O  
HETATM   30  C   UNL     1       1.158   1.872   2.858  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.235   2.728   0.701  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.895   3.217  -0.410  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.032   2.427  -1.536  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.510   1.147  -1.554  1.00  0.00           C  
HETATM   35  O   UNL     1      -0.785  -3.208   0.317  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.489  -1.006   1.140  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.443  -0.149   1.646  1.00  0.00           C  
HETATM   38  H   UNL     1       0.147  -1.576  -2.332  1.00  0.00           H  
HETATM   39  H   UNL     1       0.675  -1.167   0.537  1.00  0.00           H  
HETATM   40  H   UNL     1       4.639  -0.974  -1.515  1.00  0.00           H  
HETATM   41  H   UNL     1       5.187  -1.348   0.137  1.00  0.00           H  
HETATM   42  H   UNL     1       5.708   0.638   1.706  1.00  0.00           H  
HETATM   43  H   UNL     1       5.678   4.222  -0.616  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.397   1.458   2.226  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.633   0.102  -2.425  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.303   1.614  -1.470  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.549  -1.285  -2.049  1.00  0.00           H  
HETATM   48  H   UNL     1       1.914  -0.732   1.647  1.00  0.00           H  
HETATM   49  H   UNL     1       3.654  -0.864   1.998  1.00  0.00           H  
HETATM   50  H   UNL     1       2.252  -4.212   2.675  1.00  0.00           H  
HETATM   51  H   UNL     1       6.261   3.121   1.594  1.00  0.00           H  
HETATM   52  H   UNL     1       1.676   2.758   2.491  1.00  0.00           H  
HETATM   53  H   UNL     1       0.197   2.163   3.282  1.00  0.00           H  
HETATM   54  H   UNL     1       1.763   1.388   3.625  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.128   3.345   1.581  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.303   4.216  -0.398  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.549   2.810  -2.404  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.619   0.532  -2.435  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.700  -1.367   1.783  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.400   0.160   2.680  1.00  0.00           H  
CONECT    1   18    2   38                                            
CONECT    2    1   20   28   39                                       
CONECT    3   22   24   24   23                                       
CONECT    4    5   21   40   41                                       
CONECT    5   26    6    6    4                                       
CONECT    6   25    5    5   42                                       
CONECT    7   25   25   26   43                                       
CONECT    8   29   28   28   31                                       
CONECT    9   10   10                                                 
CONECT   10    9    9   15   11                                       
CONECT   11   10   12   44                                            
CONECT   12   11   13   13   37                                       
CONECT   13   14   12   12   16                                       
CONECT   14   15   15   13   45                                       
CONECT   15   10   14   14   46                                       
CONECT   16   13   17   17   47                                       
CONECT   17   16   16   36   18                                       
CONECT   18   17   35   35   19                                       
CONECT   18   19    1                                                 
CONECT   19   18   18                                                 
CONECT   20   27   27   21    2                                       
CONECT   21   22   20    4                                            
CONECT   22   21    3   48   49                                       
CONECT   23    3   50                                                 
CONECT   24    3    3                                                 
CONECT   25    7    7    6   51                                       
CONECT   26    7    5                                                 
CONECT   27   20   20                                                 
CONECT   28    2    8    8   34                                       
CONECT   29   30    8                                                 
CONECT   30   29   52   53   54                                       
CONECT   31    8   32   32   55                                       
CONECT   32   31   31   33   56                                       
CONECT   33   34   34   32   57                                       
CONECT   34   28   33   33   58                                       
CONECT   35   18   18                                                 
CONECT   36   37   37   17   59                                       
CONECT   37   12   36   36   60                                       
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44   11                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   25                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   34                                                      
CONECT   59   36                                                      
CONECT   60   37                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
