COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.843   0.729   1.672  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.058   0.215   0.591  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.442  -0.026   0.152  1.00  0.00           C  
HETATM    4  S   UNL     1      -7.891   0.371   1.070  1.00  0.00           S  
HETATM    5  C   UNL     1      -8.870  -0.246  -0.190  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.081  -0.693  -1.180  1.00  0.00           C  
HETATM    7  N   UNL     1      -6.796  -0.563  -0.985  1.00  0.00           N  
HETATM    8  N   UNL     1      -4.028  -0.129  -0.208  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.143  -0.755  -1.533  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.710  -0.987  -2.056  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.863  -0.998  -0.757  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.599   0.064   0.101  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.483  -0.588  -1.026  1.00  0.00           N  
HETATM   14  C   UNL     1       0.538  -1.003  -0.188  1.00  0.00           C  
HETATM   15  N   UNL     1       0.249  -1.774   0.850  1.00  0.00           N  
HETATM   16  C   UNL     1       1.199  -2.190   1.673  1.00  0.00           C  
HETATM   17  C   UNL     1       2.509  -1.810   1.441  1.00  0.00           C  
HETATM   18  C   UNL     1       2.781  -0.999   0.341  1.00  0.00           C  
HETATM   19  N   UNL     1       1.780  -0.623  -0.447  1.00  0.00           N  
HETATM   20  N   UNL     1       4.087  -0.592   0.068  1.00  0.00           N  
HETATM   21  C   UNL     1       5.182  -1.405  -0.082  1.00  0.00           C  
HETATM   22  C   UNL     1       6.236  -0.604  -0.335  1.00  0.00           C  
HETATM   23  C   UNL     1       7.653  -1.061  -0.570  1.00  0.00           C  
HETATM   24  C   UNL     1       8.014  -2.488  -0.150  1.00  0.00           C  
HETATM   25  C   UNL     1       8.532  -1.297   0.660  1.00  0.00           C  
HETATM   26  N   UNL     1       5.812   0.665  -0.343  1.00  0.00           N  
HETATM   27  C   UNL     1       4.520   0.694  -0.107  1.00  0.00           C  
HETATM   28  C   UNL     1       3.679   1.908  -0.040  1.00  0.00           C  
HETATM   29  C   UNL     1       2.440   1.868   0.601  1.00  0.00           C  
HETATM   30  C   UNL     1       1.660   3.004   0.661  1.00  0.00           C  
HETATM   31  C   UNL     1       2.103   4.182   0.087  1.00  0.00           C  
HETATM   32  C   UNL     1       3.330   4.229  -0.550  1.00  0.00           C  
HETATM   33  C   UNL     1       4.123   3.101  -0.612  1.00  0.00           C  
HETATM   34  H   UNL     1      -9.950  -0.273  -0.189  1.00  0.00           H  
HETATM   35  H   UNL     1      -8.484  -1.125  -2.084  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.666  -1.707  -1.449  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.682  -0.092  -2.210  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.638  -1.945  -2.572  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.403  -0.174  -2.714  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.892  -1.978  -0.280  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.283   1.069  -0.182  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.413  -0.109   1.161  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.284  -0.027  -1.792  1.00  0.00           H  
HETATM   44  H   UNL     1       0.954  -2.818   2.517  1.00  0.00           H  
HETATM   45  H   UNL     1       3.303  -2.135   2.097  1.00  0.00           H  
HETATM   46  H   UNL     1       5.196  -2.483  -0.010  1.00  0.00           H  
HETATM   47  H   UNL     1       8.133  -0.663  -1.463  1.00  0.00           H  
HETATM   48  H   UNL     1       7.227  -3.095   0.297  1.00  0.00           H  
HETATM   49  H   UNL     1       8.732  -3.028  -0.767  1.00  0.00           H  
HETATM   50  H   UNL     1       9.591  -1.054   0.576  1.00  0.00           H  
HETATM   51  H   UNL     1       8.086  -1.122   1.639  1.00  0.00           H  
HETATM   52  H   UNL     1       2.092   0.948   1.050  1.00  0.00           H  
HETATM   53  H   UNL     1       0.701   2.974   1.157  1.00  0.00           H  
HETATM   54  H   UNL     1       1.489   5.069   0.136  1.00  0.00           H  
HETATM   55  H   UNL     1       3.671   5.152  -0.997  1.00  0.00           H  
HETATM   56  H   UNL     1       5.080   3.139  -1.110  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    8                                       
CONECT    3    7    7    2    4                                       
CONECT    4    5    3                                                 
CONECT    5    6    6    4   34                                       
CONECT    6    7    5    5   35                                       
CONECT    7    6    3    3                                            
CONECT    8    2    9   12                                            
CONECT    9    8   10   36   37                                       
CONECT   10    9   11   38   39                                       
CONECT   11   13   12   10   40                                       
CONECT   12    8   11   41   42                                       
CONECT   13   14   11   43                                            
CONECT   14   15   13   19   19                                       
CONECT   15   16   16   14                                            
CONECT   16   15   15   17   44                                       
CONECT   17   16   18   18   45                                       
CONECT   18   17   17   19   20                                       
CONECT   19   14   14   18                                            
CONECT   20   18   27   21                                            
CONECT   21   20   22   22   46                                       
CONECT   22   21   21   26   23                                       
CONECT   23   22   25   24   47                                       
CONECT   24   23   25   48   49                                       
CONECT   25   23   24   50   51                                       
CONECT   26   27   27   22                                            
CONECT   27   20   28   26   26                                       
CONECT   28   29   29   33   27                                       
CONECT   29   30   28   28   52                                       
CONECT   30   31   31   29   53                                       
CONECT   31   30   30   32   54                                       
CONECT   32   31   33   33   55                                       
CONECT   33   32   32   28   56                                       
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   33                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
