COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK     1       3.117   0.934  -2.496  1.00  0.00           N  
HETATM    2  C   UNK     1       3.102   1.550  -1.162  1.00  0.00           C  
HETATM    3  C   UNK     1       1.926   0.993  -0.357  1.00  0.00           C  
HETATM    4  C   UNK     1       4.392   1.237  -0.449  1.00  0.00           C  
HETATM    5  O   UNK     1       4.786   1.993   0.587  1.00  0.00           O  
HETATM    6  O   UNK     1       5.071   0.305  -0.810  1.00  0.00           O  
HETATM    7  S   UNK     1       0.373   1.370  -1.215  1.00  0.00           S  
HETATM    8  C   UNK     1      -0.313  -1.718  -1.068  1.00  0.00           C  
HETATM    9  C   UNK     1       0.039  -3.041  -0.881  1.00  0.00           C  
HETATM   10  C   UNK     1       0.213  -3.536   0.399  1.00  0.00           C  
HETATM   11  C   UNK     1       0.035  -2.706   1.491  1.00  0.00           C  
HETATM   12  C   UNK     1      -0.317  -1.383   1.303  1.00  0.00           C  
HETATM   13  C   UNK     1      -0.491  -0.889   0.024  1.00  0.00           C  
HETATM   14  C   UNK     1      -0.079   2.280   1.449  1.00  0.00           C  
HETATM   15  C   UNK     1      -0.149   2.917   2.674  1.00  0.00           C  
HETATM   16  C   UNK     1      -1.090   2.521   3.606  1.00  0.00           C  
HETATM   17  C   UNK     1      -1.962   1.488   3.312  1.00  0.00           C  
HETATM   18  C   UNK     1      -1.891   0.852   2.087  1.00  0.00           C  
HETATM   19  C   UNK     1      -0.950   1.248   1.155  1.00  0.00           C  
HETATM   20  C   UNK     1      -2.533   1.713  -1.654  1.00  0.00           C  
HETATM   21  C   UNK     1      -3.764   1.779  -2.278  1.00  0.00           C  
HETATM   22  C   UNK     1      -4.680   0.757  -2.110  1.00  0.00           C  
HETATM   23  C   UNK     1      -4.364  -0.331  -1.317  1.00  0.00           C  
HETATM   24  C   UNK     1      -3.132  -0.396  -0.692  1.00  0.00           C  
HETATM   25  C   UNK     1      -2.217   0.626  -0.861  1.00  0.00           C  
HETATM   26 CL   UNK     1       0.655  -5.199   0.634  1.00  0.00          Cl  
HETATM   27  C   UNK     1      -0.874   0.554  -0.180  1.00  0.00           C  
HETATM   28  H   UNK     1       3.216  -0.068  -2.430  1.00  0.00           H  
HETATM   29  H   UNK     1       2.291   1.183  -3.019  1.00  0.00           H  
HETATM   30  H   UNK     1       2.994   2.630  -1.262  1.00  0.00           H  
HETATM   31  H   UNK     1       2.033  -0.087  -0.257  1.00  0.00           H  
HETATM   32  H   UNK     1       1.914   1.450   0.633  1.00  0.00           H  
HETATM   33  H   UNK     1       5.621   1.754   1.013  1.00  0.00           H  
HETATM   34  H   UNK     1      -0.445  -1.330  -2.067  1.00  0.00           H  
HETATM   35  H   UNK     1       0.178  -3.689  -1.734  1.00  0.00           H  
HETATM   36  H   UNK     1       0.171  -3.092   2.491  1.00  0.00           H  
HETATM   37  H   UNK     1      -0.456  -0.735   2.156  1.00  0.00           H  
HETATM   38  H   UNK     1       0.654   2.593   0.719  1.00  0.00           H  
HETATM   39  H   UNK     1       0.532   3.723   2.903  1.00  0.00           H  
HETATM   40  H   UNK     1      -1.144   3.017   4.563  1.00  0.00           H  
HETATM   41  H   UNK     1      -2.696   1.179   4.040  1.00  0.00           H  
HETATM   42  H   UNK     1      -2.571   0.045   1.858  1.00  0.00           H  
HETATM   43  H   UNK     1      -1.815   2.509  -1.789  1.00  0.00           H  
HETATM   44  H   UNK     1      -4.011   2.628  -2.898  1.00  0.00           H  
HETATM   45  H   UNK     1      -5.642   0.809  -2.597  1.00  0.00           H  
HETATM   46  H   UNK     1      -5.079  -1.128  -1.185  1.00  0.00           H  
HETATM   47  H   UNK     1      -2.886  -1.245  -0.072  1.00  0.00           H  
CONECT    1    2   28   29                                            
CONECT    2    1    3    4   30                                       
CONECT    3    2    7   31   32                                       
CONECT    4    2    5    6    6                                       
CONECT    5    4   33                                                 
CONECT    6    4    4                                                 
CONECT    7    3   27                                                 
CONECT    8    9   13   13   34                                       
CONECT    9    8   10   10   35                                       
CONECT   10    9    9   11   26                                       
CONECT   11   10   12   12   36                                       
CONECT   12   11   11   13   37                                       
CONECT   13    8    8   12   27                                       
CONECT   14   15   19   19   38                                       
CONECT   15   14   16   16   39                                       
CONECT   16   15   15   17   40                                       
CONECT   17   16   18   18   41                                       
CONECT   18   17   17   19   42                                       
CONECT   19   14   14   18   27                                       
CONECT   20   21   25   25   43                                       
CONECT   21   20   22   22   44                                       
CONECT   22   21   21   23   45                                       
CONECT   23   22   24   24   46                                       
CONECT   24   23   23   25   47                                       
CONECT   25   20   20   24   27                                       
CONECT   26   10                                                      
CONECT   27    7   13   19   25                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   12                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   24                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
