COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.666   3.160   0.533  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.009  -5.203  -0.697  1.00  0.00           C  
HETATM    3  C   UNL     1       0.574   2.570  -0.091  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.829   2.401   0.021  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.301  -1.562   0.333  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.128   2.283   0.018  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.150   1.402   0.075  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.044   0.884   0.128  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.770   0.296   0.180  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.346  -3.087   0.452  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.964  -3.679  -0.816  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.009   2.996  -0.032  1.00  0.00           N  
HETATM   13  N   UNL     1      -5.467   2.580  -0.013  1.00  0.00           N  
HETATM   14  C   UNL     1       2.907   2.558   0.465  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.313   0.409   0.157  1.00  0.00           N  
HETATM   16  O   UNL     1       5.565   1.680  -0.155  1.00  0.00           O  
HETATM   17  S   UNL     1       4.649   0.605  -0.309  1.00  0.00           S  
HETATM   18  O   UNL     1       4.607  -0.156  -1.508  1.00  0.00           O  
HETATM   19  C   UNL     1       4.702  -0.488   1.138  1.00  0.00           C  
HETATM   20  C   UNL     1       6.047  -1.218   1.176  1.00  0.00           C  
HETATM   21  C   UNL     1       3.064   1.370  -0.224  1.00  0.00           C  
HETATM   22  C   UNL     1       1.979   0.779  -0.846  1.00  0.00           C  
HETATM   23  C   UNL     1       0.734   1.373  -0.777  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.683   3.179  -0.028  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.705   1.083   0.124  1.00  0.00           N  
HETATM   26  O   UNL     1      -2.633  -1.048   0.286  1.00  0.00           O  
HETATM   27  C   UNL     1       0.074  -3.627   0.628  1.00  0.00           C  
HETATM   28  C   UNL     1       0.029  -5.152   0.747  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.589  -5.744  -0.521  1.00  0.00           C  
HETATM   30  H   UNL     1       1.545   4.091   1.067  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.614  -5.483   0.166  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.449  -5.625  -1.601  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.781  -1.145   1.196  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.771  -1.284  -0.578  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.226   1.308   0.076  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.951  -3.366   1.315  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.359  -3.400  -1.679  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.976  -3.294  -0.941  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.857   3.465  -0.085  1.00  0.00           H  
HETATM   40  H   UNL     1       3.756   3.017   0.950  1.00  0.00           H  
HETATM   41  H   UNL     1       4.584   0.103   2.045  1.00  0.00           H  
HETATM   42  H   UNL     1       3.895  -1.218   1.072  1.00  0.00           H  
HETATM   43  H   UNL     1       6.165  -1.810   0.269  1.00  0.00           H  
HETATM   44  H   UNL     1       6.854  -0.489   1.242  1.00  0.00           H  
HETATM   45  H   UNL     1       6.078  -1.875   2.045  1.00  0.00           H  
HETATM   46  H   UNL     1       2.105  -0.150  -1.383  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.113   0.911  -1.263  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.753   4.147  -0.019  1.00  0.00           H  
HETATM   49  H   UNL     1       0.679  -3.348  -0.235  1.00  0.00           H  
HETATM   50  H   UNL     1       0.514  -3.205   1.532  1.00  0.00           H  
HETATM   51  H   UNL     1       1.041  -5.537   0.873  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.576  -5.431   1.610  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.621  -6.830  -0.436  1.00  0.00           H  
HETATM   54  H   UNL     1       0.015  -5.465  -1.384  1.00  0.00           H  
CONECT    1   14   14    3   30                                       
CONECT    2   11   29   31   32                                       
CONECT    3    1   24   23   23                                       
CONECT    4   24   12   12   25                                       
CONECT    5   26   10   33   34                                       
CONECT    6   12   13    8    8                                       
CONECT    7   13   15   15   35                                       
CONECT    8    6    6    9   15                                       
CONECT    9   25   25    8   26                                       
CONECT   10    5   11   27   36                                       
CONECT   11   10    2   37   38                                       
CONECT   12    4    4    6                                            
CONECT   13    6    7   39                                            
CONECT   14    1    1   21   40                                       
CONECT   15    8    7    7                                            
CONECT   16   17   17                                                 
CONECT   17   18   18   19   21                                       
CONECT   17   16   16                                                 
CONECT   18   17   17                                                 
CONECT   19   17   20   41   42                                       
CONECT   20   19   43   44   45                                       
CONECT   21   14   17   22   22                                       
CONECT   22   21   21   23   46                                       
CONECT   23    3    3   22   47                                       
CONECT   24    3    4   48                                            
CONECT   25    4    9    9                                            
CONECT   26    9    5                                                 
CONECT   27   10   28   49   50                                       
CONECT   28   27   29   51   52                                       
CONECT   29    2   28   53   54                                       
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   27                                                      
CONECT   50   27                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
