COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1       8.829   0.680   1.645  1.00  0.00           C  
HETATM    2  C   UNK A   1       9.263  -0.693  -0.159  1.00  0.00           C  
HETATM    3  O   UNK A   0      -5.149   1.438   1.035  1.00  0.00           O  
HETATM    4  N   UNK A   1       7.987  -0.820  -0.457  1.00  0.00           N  
HETATM    5  C   UNK A   1       7.058  -0.204   0.267  1.00  0.00           C  
HETATM    6  C   UNK A   1       7.455   0.581   1.363  1.00  0.00           C  
HETATM    7  C   UNK A   1       1.219  -0.747  -0.803  1.00  0.00           C  
HETATM    8  C   UNK A   1       2.603  -1.013  -1.399  1.00  0.00           C  
HETATM    9  O   UNK A   1       3.556  -0.083  -0.858  1.00  0.00           O  
HETATM   10  C   UNK A   1       4.815  -0.782  -0.752  1.00  0.00           C  
HETATM   11  C   UNK A   1       5.292   0.674   1.253  1.00  0.00           C  
HETATM   12  C   UNK A   0      -6.874  -0.492   0.119  1.00  0.00           C  
HETATM   13  C   UNK A   1       4.405  -2.192  -0.256  1.00  0.00           C  
HETATM   14  C   UNK A   1       3.075  -2.429  -1.014  1.00  0.00           C  
HETATM   15  O   UNK A   1       3.300  -3.217  -2.184  1.00  0.00           O  
HETATM   16  C   UNK A   0      -5.849  -0.058  -0.609  1.00  0.00           C  
HETATM   17  C   UNK A   0      -4.953   0.978  -0.074  1.00  0.00           C  
HETATM   18  N   UNK A   1      -3.914   1.417  -0.811  1.00  0.00           N  
HETATM   19  C   UNK A   1      -3.021   2.449  -0.278  1.00  0.00           C  
HETATM   20  C   UNK A   1      -3.606   3.810  -0.553  1.00  0.00           C  
HETATM   21  O   UNK A   1      -2.956   4.914  -0.152  1.00  0.00           O  
HETATM   22  O   UNK A   1      -4.660   3.908  -1.136  1.00  0.00           O  
HETATM   23  C   UNK A   1      -1.652   2.336  -0.950  1.00  0.00           C  
HETATM   24  C   UNK A   1      -1.004   1.004  -0.568  1.00  0.00           C  
HETATM   25  S   UNK A   1       0.620   0.870  -1.366  1.00  0.00           S  
HETATM   26  O   UNK A   1       5.383  -3.167  -0.624  1.00  0.00           O  
HETATM   27  N   UNK A   1       5.689  -0.126   0.223  1.00  0.00           N  
HETATM   28  N   UNK A   1       6.330   1.088   1.920  1.00  0.00           N  
HETATM   29  N   UNK A   1       9.684   0.033   0.860  1.00  0.00           N  
HETATM   30  N   UNK A   1       9.280   1.439   2.711  1.00  0.00           N  
HETATM   31  C   UNK A   0      -7.793  -1.554  -0.430  1.00  0.00           C  
HETATM   32  C   UNK A   0      -9.187  -1.008  -0.501  1.00  0.00           C  
HETATM   33  C   UNK A   0     -10.096  -1.283   0.385  1.00  0.00           C  
HETATM   34  C   UNK A   0      -9.840  -2.173   1.564  1.00  0.00           C  
HETATM   35  C   UNK A   0      -8.637  -3.039   1.338  1.00  0.00           C  
HETATM   36  C   UNK A   0      -7.727  -2.764   0.452  1.00  0.00           C  
HETATM   37  O   UNK A   0      -9.623  -1.365   2.722  1.00  0.00           O  
HETATM   38  H   UNK A   1       9.992  -1.203  -0.771  1.00  0.00           H  
HETATM   39  H   UNK A   1       0.528  -1.524  -1.128  1.00  0.00           H  
HETATM   40  H   UNK A   1       1.286  -0.751   0.285  1.00  0.00           H  
HETATM   41  H   UNK A   1       2.564  -0.915  -2.484  1.00  0.00           H  
HETATM   42  H   UNK A   1       5.303  -0.842  -1.725  1.00  0.00           H  
HETATM   43  H   UNK A   1       4.267   0.928   1.480  1.00  0.00           H  
HETATM   44  H   UNK A   0      -7.049  -0.083   1.103  1.00  0.00           H  
HETATM   45  H   UNK A   1       4.243  -2.193   0.822  1.00  0.00           H  
HETATM   46  H   UNK A   1       2.346  -2.911  -0.363  1.00  0.00           H  
HETATM   47  H   UNK A   1       3.654  -4.098  -2.003  1.00  0.00           H  
HETATM   48  H   UNK A   0      -5.674  -0.467  -1.594  1.00  0.00           H  
HETATM   49  H   UNK A   1      -3.757   1.050  -1.695  1.00  0.00           H  
HETATM   50  H   UNK A   1      -2.910   2.312   0.798  1.00  0.00           H  
HETATM   51  H   UNK A   1      -3.370   5.764  -0.351  1.00  0.00           H  
HETATM   52  H   UNK A   1      -1.773   2.384  -2.033  1.00  0.00           H  
HETATM   53  H   UNK A   1      -1.016   3.157  -0.620  1.00  0.00           H  
HETATM   54  H   UNK A   1      -0.882   0.956   0.514  1.00  0.00           H  
HETATM   55  H   UNK A   1      -1.640   0.183  -0.899  1.00  0.00           H  
HETATM   56  H   UNK A   1       5.171  -4.065  -0.336  1.00  0.00           H  
HETATM   57  H   UNK A   1      10.231   1.502   2.892  1.00  0.00           H  
HETATM   58  H   UNK A   1       8.646   1.906   3.276  1.00  0.00           H  
HETATM   59  H   UNK A   0      -7.464  -1.826  -1.433  1.00  0.00           H  
HETATM   60  H   UNK A   0      -9.447  -0.359  -1.323  1.00  0.00           H  
HETATM   61  H   UNK A   0     -11.079  -0.853   0.267  1.00  0.00           H  
HETATM   62  H   UNK A   0      -8.521  -3.930   1.937  1.00  0.00           H  
HETATM   63  H   UNK A   0      -6.888  -3.435   0.347  1.00  0.00           H  
HETATM   64  H   UNK A   0     -10.710  -2.808   1.729  1.00  0.00           H  
HETATM   65  H   UNK A   0      -9.450  -1.871   3.528  1.00  0.00           H  
CONECT    1    6   30   29   29                                       
CONECT    2    4    4   29   38                                       
CONECT    3   17   17                                                 
CONECT    4    5    2    2                                            
CONECT    5   27    6    6    4                                       
CONECT    6   28    5    5    1                                       
CONECT    7   25    8   39   40                                       
CONECT    8   14    7    9   41                                       
CONECT    9    8   10                                                 
CONECT   10   13   27    9   42                                       
CONECT   11   27   28   28   43                                       
CONECT   12   31   16   16   44                                       
CONECT   13   26   14   10   45                                       
CONECT   14   15   13    8   46                                       
CONECT   15   14   47                                                 
CONECT   16   12   12   17   48                                       
CONECT   17    3    3   16   18                                       
CONECT   18   17   19   49                                            
CONECT   19   20   18   23   50                                       
CONECT   20   22   22   21   19                                       
CONECT   21   20   51                                                 
CONECT   22   20   20                                                 
CONECT   23   19   24   52   53                                       
CONECT   24   25   23   54   55                                       
CONECT   25    7   24                                                 
CONECT   26   13   56                                                 
CONECT   27   10   11    5                                            
CONECT   28   11   11    6                                            
CONECT   29    1    1    2                                            
CONECT   30    1   57   58                                            
CONECT   31   36   12   32   59                                       
CONECT   32   31   33   33   60                                       
CONECT   33   34   32   32   61                                       
CONECT   34   35   37   33   64                                       
CONECT   35   36   36   34   62                                       
CONECT   36   35   35   31   63                                       
CONECT   37   34   65                                                 
CONECT   38    2                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   21                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   26                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
CONECT   64   34                                                      
CONECT   65   37                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
