COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1      -2.080   3.512  -0.946  1.00  0.00           C  
HETATM    2  C   UNK     1      -1.020   2.652  -0.681  1.00  0.00           C  
HETATM    3  C   UNK     1      -0.573   1.781  -1.671  1.00  0.00           C  
HETATM    4  C   UNK     1      -2.690   3.498  -2.200  1.00  0.00           C  
HETATM    5  C   UNK     1      -2.239   2.636  -3.180  1.00  0.00           C  
HETATM    6  C   UNK     1       2.296  -2.404  -1.492  1.00  0.00           C  
HETATM    7  C   UNK     1       2.022  -3.193  -0.211  1.00  0.00           C  
HETATM    8  C   UNK     1       0.557   0.860  -1.395  1.00  0.00           C  
HETATM    9  C   UNK     1       2.623  -4.595  -0.102  1.00  0.00           C  
HETATM   10  C   UNK     1       1.117  -4.421  -0.317  1.00  0.00           C  
HETATM   11  C   UNK     1      -3.274  -2.781   0.354  1.00  0.00           C  
HETATM   12  C   UNK     1      -2.293  -3.614  -0.152  1.00  0.00           C  
HETATM   13  C   UNK     1      -1.380  -3.128  -1.070  1.00  0.00           C  
HETATM   14  C   UNK     1      -1.447  -1.810  -1.481  1.00  0.00           C  
HETATM   15  C   UNK     1      -0.448  -1.280  -2.476  1.00  0.00           C  
HETATM   16  C   UNK     1       0.620  -0.503  -1.751  1.00  0.00           C  
HETATM   17  C   UNK     1       1.806  -0.988  -1.326  1.00  0.00           C  
HETATM   18  C   UNK     1      -1.190   1.776  -2.921  1.00  0.00           C  
HETATM   19  C   UNK     1      -2.566   4.439   0.106  1.00  0.00           C  
HETATM   20  C   UNK     1      -3.632   5.298  -0.156  1.00  0.00           C  
HETATM   21  C   UNK     1      -4.080   6.158   0.826  1.00  0.00           C  
HETATM   22  C   UNK     1      -3.472   6.169   2.069  1.00  0.00           C  
HETATM   23  C   UNK     1      -2.414   5.319   2.334  1.00  0.00           C  
HETATM   24  C   UNK     1      -1.962   4.450   1.361  1.00  0.00           C  
HETATM   25  C   UNK     1       3.745  -0.059  -0.146  1.00  0.00           C  
HETATM   26  C   UNK     1       5.580   0.622   0.916  1.00  0.00           C  
HETATM   27  C   UNK     1       5.968  -0.660   0.741  1.00  0.00           C  
HETATM   28  C   UNK     1       6.422   1.618   1.596  1.00  0.00           C  
HETATM   29  C   UNK     1      -2.428  -0.978  -0.975  1.00  0.00           C  
HETATM   30  C   UNK     1      -3.344  -1.464  -0.062  1.00  0.00           C  
HETATM   31  N   UNK     1      -3.796  -3.154   3.030  1.00  0.00           N  
HETATM   32  N   UNK     1       2.479   0.026  -0.720  1.00  0.00           N  
HETATM   33  N   UNK     1       1.679   1.174  -0.782  1.00  0.00           N  
HETATM   34  N   UNK     1       4.373   0.917   0.428  1.00  0.00           N  
HETATM   35  O   UNK     1      -5.582  -2.562   1.432  1.00  0.00           O  
HETATM   36  O   UNK     1      -4.488  -4.807   1.333  1.00  0.00           O  
HETATM   37  O   UNK     1       5.983   2.883   1.745  1.00  0.00           O  
HETATM   38  O   UNK     1       7.515   1.299   2.023  1.00  0.00           O  
HETATM   39  S   UNK     1      -4.438  -3.399   1.523  1.00  0.00           S  
HETATM   40  S   UNK     1       4.734  -1.513  -0.079  1.00  0.00           S  
HETATM   41  H   UNK     1      -0.545   2.660   0.289  1.00  0.00           H  
HETATM   42  H   UNK     1      -3.516   4.162  -2.405  1.00  0.00           H  
HETATM   43  H   UNK     1      -2.714   2.628  -4.150  1.00  0.00           H  
HETATM   44  H   UNK     1       3.368  -2.396  -1.692  1.00  0.00           H  
HETATM   45  H   UNK     1       1.775  -2.873  -2.326  1.00  0.00           H  
HETATM   46  H   UNK     1       1.961  -2.600   0.702  1.00  0.00           H  
HETATM   47  H   UNK     1       3.213  -4.957  -0.945  1.00  0.00           H  
HETATM   48  H   UNK     1       2.956  -4.926   0.881  1.00  0.00           H  
HETATM   49  H   UNK     1       0.461  -4.637   0.526  1.00  0.00           H  
HETATM   50  H   UNK     1       0.717  -4.668  -1.301  1.00  0.00           H  
HETATM   51  H   UNK     1      -2.241  -4.643   0.169  1.00  0.00           H  
HETATM   52  H   UNK     1      -0.614  -3.779  -1.465  1.00  0.00           H  
HETATM   53  H   UNK     1       0.009  -2.112  -3.012  1.00  0.00           H  
HETATM   54  H   UNK     1      -0.954  -0.626  -3.186  1.00  0.00           H  
HETATM   55  H   UNK     1      -0.844   1.100  -3.690  1.00  0.00           H  
HETATM   56  H   UNK     1      -4.107   5.290  -1.126  1.00  0.00           H  
HETATM   57  H   UNK     1      -4.906   6.823   0.624  1.00  0.00           H  
HETATM   58  H   UNK     1      -3.825   6.844   2.834  1.00  0.00           H  
HETATM   59  H   UNK     1      -1.942   5.332   3.306  1.00  0.00           H  
HETATM   60  H   UNK     1      -1.138   3.784   1.571  1.00  0.00           H  
HETATM   61  H   UNK     1       6.908  -1.079   1.069  1.00  0.00           H  
HETATM   62  H   UNK     1      -2.480   0.052  -1.296  1.00  0.00           H  
HETATM   63  H   UNK     1      -4.110  -0.814   0.334  1.00  0.00           H  
HETATM   64  H   UNK     1      -2.927  -2.734   3.125  1.00  0.00           H  
HETATM   65  H   UNK     1      -4.290  -3.429   3.818  1.00  0.00           H  
HETATM   66  H   UNK     1       6.572   3.502   2.198  1.00  0.00           H  
CONECT    1    2    2    4   19                                       
CONECT    2    3    1    1   41                                       
CONECT    3    8   18   18    2                                       
CONECT    4    5    5    1   42                                       
CONECT    5   18    4    4   43                                       
CONECT    6    7   17   44   45                                       
CONECT    7   10    9    6   46                                       
CONECT    8   16   33   33    3                                       
CONECT    9   10    7   47   48                                       
CONECT   10    9    7   49   50                                       
CONECT   11   30   30   12   39                                       
CONECT   12   13   13   11   51                                       
CONECT   13   14   12   12   52                                       
CONECT   14   15   29   29   13                                       
CONECT   15   16   14   53   54                                       
CONECT   16   17   17   15    8                                       
CONECT   17    6   32   16   16                                       
CONECT   18    3    3    5   55                                       
CONECT   19    1   24   24   20                                       
CONECT   20   19   21   21   56                                       
CONECT   21   20   20   22   57                                       
CONECT   22   23   23   21   58                                       
CONECT   23   24   22   22   59                                       
CONECT   24   19   19   23   60                                       
CONECT   25   34   34   40   32                                       
CONECT   26   28   27   27   34                                       
CONECT   27   26   26   40   61                                       
CONECT   28   38   38   37   26                                       
CONECT   29   14   14   30   62                                       
CONECT   30   29   11   11   63                                       
CONECT   31   39   64   65                                            
CONECT   32   25   17   33                                            
CONECT   33   32    8    8                                            
CONECT   34   26   25   25                                            
CONECT   35   39   39                                                 
CONECT   36   39   39                                                 
CONECT   37   28   66                                                 
CONECT   38   28   28                                                 
CONECT   39   11   31   36   36                                       
CONECT   39   35   35                                                 
CONECT   40   27   25                                                 
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   18                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   27                                                      
CONECT   62   29                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   37                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
