COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNK     1      -7.409   3.035  -1.706  1.00  0.00           O  
HETATM    2  C   UNK     1      -7.404   2.629  -0.427  1.00  0.00           C  
HETATM    3  O   UNK     1      -8.447   2.471   0.161  1.00  0.00           O  
HETATM    4  C   UNK     1      -6.096   2.371   0.276  1.00  0.00           C  
HETATM    5  N   UNK     1      -6.305   2.412   1.730  1.00  0.00           N1+
HETATM    6  C   UNK     1      -5.566   0.993  -0.124  1.00  0.00           C  
HETATM    7  C   UNK     1      -4.180   0.781   0.490  1.00  0.00           C  
HETATM    8  C   UNK     1      -3.658  -0.576   0.096  1.00  0.00           C  
HETATM    9  O   UNK     1      -4.328  -1.303  -0.606  1.00  0.00           O  
HETATM   10  N   UNK     1      -2.446  -0.982   0.525  1.00  0.00           N  
HETATM   11  C   UNK     1      -1.939  -2.302   0.142  1.00  0.00           C  
HETATM   12  C   UNK     1      -2.465  -3.340   1.099  1.00  0.00           C  
HETATM   13  O   UNK     1      -3.190  -3.011   2.008  1.00  0.00           O  
HETATM   14  O   UNK     1      -2.129  -4.630   0.942  1.00  0.00           O  
HETATM   15  C   UNK     1      -0.409  -2.294   0.190  1.00  0.00           C  
HETATM   16  S   UNK     1       0.225  -1.044  -0.963  1.00  0.00           S  
HETATM   17  O   UNK     1       0.014  -1.481  -2.298  1.00  0.00           O  
HETATM   18  C   UNK     1       1.971  -1.179  -0.772  1.00  0.00           C  
HETATM   19  N   UNK     1       2.696  -0.515   0.086  1.00  0.00           N  
HETATM   20  N   UNK     1       2.780  -1.991  -1.486  1.00  0.00           N  
HETATM   21  C   UNK     1       4.056  -1.794  -1.030  1.00  0.00           C  
HETATM   22  C   UNK     1       3.981  -0.876  -0.048  1.00  0.00           C  
HETATM   23  C   UNK     1       5.139  -0.342   0.755  1.00  0.00           C  
HETATM   24  C   UNK     1       5.163   1.185   0.661  1.00  0.00           C  
HETATM   25  C   UNK     1       6.258   1.725   1.546  1.00  0.00           C  
HETATM   26  O   UNK     1       7.306   2.081   1.061  1.00  0.00           O  
HETATM   27  O   UNK     1       6.068   1.811   2.872  1.00  0.00           O  
HETATM   28  N   UNK     1       5.415   1.587  -0.729  1.00  0.00           N1+
HETATM   29  C   UNK     1       4.249   1.245  -1.556  1.00  0.00           C  
HETATM   30  C   UNK     1       5.647   3.036  -0.786  1.00  0.00           C  
HETATM   31  C   UNK     1       6.599   0.881  -1.237  1.00  0.00           C  
HETATM   32  H   UNK     1      -8.273   3.188  -2.114  1.00  0.00           H  
HETATM   33  H   UNK     1      -5.373   3.135  -0.009  1.00  0.00           H  
HETATM   34  H   UNK     1      -6.655   3.321   1.993  1.00  0.00           H  
HETATM   35  H   UNK     1      -6.974   1.705   1.994  1.00  0.00           H  
HETATM   36  H   UNK     1      -6.246   0.222   0.240  1.00  0.00           H  
HETATM   37  H   UNK     1      -5.495   0.932  -1.210  1.00  0.00           H  
HETATM   38  H   UNK     1      -3.500   1.552   0.127  1.00  0.00           H  
HETATM   39  H   UNK     1      -4.251   0.842   1.576  1.00  0.00           H  
HETATM   40  H   UNK     1      -1.911  -0.401   1.087  1.00  0.00           H  
HETATM   41  H   UNK     1      -2.269  -2.539  -0.869  1.00  0.00           H  
HETATM   42  H   UNK     1      -2.491  -5.259   1.581  1.00  0.00           H  
HETATM   43  H   UNK     1      -0.079  -2.056   1.201  1.00  0.00           H  
HETATM   44  H   UNK     1      -0.032  -3.276  -0.095  1.00  0.00           H  
HETATM   45  H   UNK     1       2.508  -2.600  -2.191  1.00  0.00           H  
HETATM   46  H   UNK     1       4.949  -2.286  -1.385  1.00  0.00           H  
HETATM   47  H   UNK     1       5.027  -0.640   1.797  1.00  0.00           H  
HETATM   48  H   UNK     1       6.072  -0.745   0.360  1.00  0.00           H  
HETATM   49  H   UNK     1       4.203   1.585   0.987  1.00  0.00           H  
HETATM   50  H   UNK     1       6.799   2.164   3.398  1.00  0.00           H  
HETATM   51  H   UNK     1       3.335   1.486  -1.013  1.00  0.00           H  
HETATM   52  H   UNK     1       4.282   1.816  -2.484  1.00  0.00           H  
HETATM   53  H   UNK     1       4.266   0.179  -1.784  1.00  0.00           H  
HETATM   54  H   UNK     1       6.616   3.266  -0.343  1.00  0.00           H  
HETATM   55  H   UNK     1       5.635   3.366  -1.825  1.00  0.00           H  
HETATM   56  H   UNK     1       4.862   3.552  -0.233  1.00  0.00           H  
HETATM   57  H   UNK     1       6.377  -0.183  -1.326  1.00  0.00           H  
HETATM   58  H   UNK     1       6.868   1.279  -2.215  1.00  0.00           H  
HETATM   59  H   UNK     1       7.430   1.022  -0.545  1.00  0.00           H  
HETATM   60  H   UNK     1      -5.429   2.239   2.200  1.00  0.00           H  
CONECT    1    2   32                                                 
CONECT    2    3    3    1    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    6    5   33                                       
CONECT    5    4   34   35   60                                       
CONECT    6    4    7   36   37                                       
CONECT    7    8    6   38   39                                       
CONECT    8    9    9   10    7                                       
CONECT    9    8    8                                                 
CONECT   10   11    8   40                                            
CONECT   11   15   12   10   41                                       
CONECT   12   13   13   14   11                                       
CONECT   13   12   12                                                 
CONECT   14   12   42                                                 
CONECT   15   16   11   43   44                                       
CONECT   16   17   17   18   15                                       
CONECT   17   16   16                                                 
CONECT   18   19   19   20   16                                       
CONECT   19   22   18   18                                            
CONECT   20   21   18   45                                            
CONECT   21   22   22   20   46                                       
CONECT   22   23   19   21   21                                       
CONECT   23   24   22   47   48                                       
CONECT   24   25   28   23   49                                       
CONECT   25   26   26   27   24                                       
CONECT   26   25   25                                                 
CONECT   27   25   50                                                 
CONECT   28   31   30   24   29                                       
CONECT   29   28   51   52   53                                       
CONECT   30   28   54   55   56                                       
CONECT   31   28   57   58   59                                       
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   27                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
CONECT   57   31                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60    5                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
