COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.415   0.931   0.434  1.00  0.00           C  
HETATM    2  C   UNL     1       0.313   2.089   0.755  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.630  -0.266   0.160  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.243   1.811  -1.025  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.706   1.408  -1.309  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.952   0.087  -0.559  1.00  0.00           C  
HETATM    7  C   UNL     1       3.678  -1.551   0.372  1.00  0.00           C  
HETATM    8  C   UNL     1       4.395  -0.395   0.691  1.00  0.00           C  
HETATM    9  C   UNL     1       3.756   0.799   0.869  1.00  0.00           C  
HETATM   10  C   UNL     1       2.361   0.865   0.728  1.00  0.00           C  
HETATM   11  C   UNL     1       1.635  -0.307   0.405  1.00  0.00           C  
HETATM   12  C   UNL     1       2.325  -1.520   0.230  1.00  0.00           C  
HETATM   13  C   UNL     1       1.661   2.071   0.901  1.00  0.00           C  
HETATM   14  C   UNL     1       0.233  -0.248   0.263  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.901   1.079   0.291  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.828  -1.196  -0.747  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.495  -1.521  -0.079  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.890  -0.896   1.529  1.00  0.00           C  
HETATM   19  N   UNL     1       6.443   1.419  -0.766  1.00  0.00           N  
HETATM   20  N   UNL     1      -6.350  -1.874  -0.040  1.00  0.00           N  
HETATM   21  O   UNL     1       5.746  -0.460   0.827  1.00  0.00           O  
HETATM   22  O   UNL     1       5.768  -0.839  -1.500  1.00  0.00           O  
HETATM   23  O   UNL     1       7.872  -0.509  -0.190  1.00  0.00           O  
HETATM   24  O   UNL     1      -5.000   0.256   0.398  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.451   0.144  -1.457  1.00  0.00           O  
HETATM   26  O   UNL     1      -7.304   0.202   0.892  1.00  0.00           O  
HETATM   27  S   UNL     1       6.510  -0.208  -0.465  1.00  0.00           S  
HETATM   28  S   UNL     1      -6.363  -0.219  -0.085  1.00  0.00           S  
HETATM   29  H   UNL     1      -0.216   3.021   0.889  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.591   1.473  -1.830  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.160   2.890  -0.895  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.383   2.179  -0.941  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.852   1.263  -2.380  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.215  -0.700  -1.266  1.00  0.00           H  
HETATM   35  H   UNL     1       4.205  -2.484   0.236  1.00  0.00           H  
HETATM   36  H   UNL     1       4.320   1.687   1.115  1.00  0.00           H  
HETATM   37  H   UNL     1       1.784  -2.421  -0.017  1.00  0.00           H  
HETATM   38  H   UNL     1       2.193   2.977   1.149  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.299   1.634   1.140  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.388  -2.117  -0.911  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.643  -0.704  -1.702  1.00  0.00           H  
HETATM   42  H   UNL     1       0.113  -2.118  -0.758  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.677  -2.087   0.834  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.448  -1.824   1.402  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.939  -1.108   2.018  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.468  -0.205   2.143  1.00  0.00           H  
HETATM   47  H   UNL     1       5.970   2.006  -0.155  1.00  0.00           H  
HETATM   48  H   UNL     1       6.875   1.785  -1.553  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.556  -2.345   0.260  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.135  -2.373  -0.313  1.00  0.00           H  
CONECT    1   15   14   14    2                                       
CONECT    2    1   13   13   29                                       
CONECT    3   18    6   15   16                                       
CONECT    4   15    5   30   31                                       
CONECT    5    6    4   32   33                                       
CONECT    6   24    3    5   34                                       
CONECT    7   12    8    8   35                                       
CONECT    8    7    7    9   21                                       
CONECT    9   10   10    8   36                                       
CONECT   10   11   13    9    9                                       
CONECT   11   14   12   12   10                                       
CONECT   12   11   11    7   37                                       
CONECT   13    2    2   10   38                                       
CONECT   14   17    1    1   11                                       
CONECT   15    3    1    4   39                                       
CONECT   16    3   17   40   41                                       
CONECT   17   16   14   42   43                                       
CONECT   18    3   44   45   46                                       
CONECT   19   27   47   48                                            
CONECT   20   28   49   50                                            
CONECT   21    8   27                                                 
CONECT   22   27   27                                                 
CONECT   23   27   27                                                 
CONECT   24   28    6                                                 
CONECT   25   28   28                                                 
CONECT   26   28   28                                                 
CONECT   27   21   23   23   19                                       
CONECT   27   22   22                                                 
CONECT   28   26   26   24   25                                       
CONECT   28   25   20                                                 
CONECT   29    2                                                      
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    9                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   16                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
