COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.902  -2.032   0.084  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.650  -0.949   0.320  1.00  0.00           C  
HETATM    3  C   UNL     1       8.457  -2.191  -0.169  1.00  0.00           C  
HETATM    4  C   UNL     1       6.665  -1.040   0.899  1.00  0.00           C  
HETATM    5  C   UNL     1       5.108   0.327  -0.474  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.752   1.005  -1.021  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.512   2.126  -0.749  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.839   1.988  -0.371  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.400   0.723  -0.266  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.636  -0.395  -0.538  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.313  -0.255  -0.915  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.484  -1.476  -1.217  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.187  -3.328  -0.199  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.159   0.060   1.076  1.00  0.00           C  
HETATM   15  C   UNL     1       0.255   0.580   1.077  1.00  0.00           C  
HETATM   16  C   UNL     1       8.030  -1.673  -1.377  1.00  0.00           C  
HETATM   17  C   UNL     1       7.764  -1.874   0.992  1.00  0.00           C  
HETATM   18  C   UNL     1       6.286  -0.556  -0.355  1.00  0.00           C  
HETATM   19  C   UNL     1       4.644   0.856  -1.624  1.00  0.00           C  
HETATM   20  C   UNL     1       3.528   1.652  -1.484  1.00  0.00           C  
HETATM   21  C   UNL     1       3.076   1.778  -0.232  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.161  -4.301   0.733  1.00  0.00           N  
HETATM   23  N   UNL     1      -2.177   0.506   1.821  1.00  0.00           N  
HETATM   24  N   UNL     1      -3.228  -0.182   1.545  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.957  -1.066   0.649  1.00  0.00           N  
HETATM   26  N   UNL     1       0.354   1.729   0.174  1.00  0.00           N  
HETATM   27  N   UNL     1       6.976  -0.884  -1.441  1.00  0.00           N  
HETATM   28  O   UNL     1      -7.589   3.089  -0.103  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.489  -5.518   0.467  1.00  0.00           O  
HETATM   30  O   UNL     1      -2.634  -3.495  -1.265  1.00  0.00           O  
HETATM   31  O   UNL     1       1.856   3.051   1.620  1.00  0.00           O  
HETATM   32  O   UNL     1       1.488   3.711  -0.762  1.00  0.00           O  
HETATM   33  S   UNL     1       4.089   0.846   0.863  1.00  0.00           S  
HETATM   34  S   UNL     1       1.672   2.729   0.248  1.00  0.00           S  
HETATM   35  H   UNL     1      -4.709  -2.210   0.795  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.109  -1.540  -0.404  1.00  0.00           H  
HETATM   37  H   UNL     1       9.319  -2.841  -0.129  1.00  0.00           H  
HETATM   38  H   UNL     1       6.104  -0.773   1.782  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.720   1.112  -1.320  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.073   3.109  -0.831  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.434   0.613   0.029  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.072  -1.380  -0.456  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.671  -1.205  -1.892  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.110  -2.233  -1.688  1.00  0.00           H  
HETATM   45  H   UNL     1       0.529   0.887   2.087  1.00  0.00           H  
HETATM   46  H   UNL     1       0.932  -0.206   0.741  1.00  0.00           H  
HETATM   47  H   UNL     1       8.567  -1.918  -2.282  1.00  0.00           H  
HETATM   48  H   UNL     1       8.077  -2.271   1.947  1.00  0.00           H  
HETATM   49  H   UNL     1       5.111   0.671  -2.580  1.00  0.00           H  
HETATM   50  H   UNL     1       3.053   2.138  -2.323  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.604  -4.168   1.586  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.352   1.905  -0.467  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.052   3.447  -0.873  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.525  -6.155   1.194  1.00  0.00           H  
CONECT    1   13   12   25   35                                       
CONECT    2   25   14   14   36                                       
CONECT    3   16   16   17   37                                       
CONECT    4   17   17   18   38                                       
CONECT    5   18   33   19   19                                       
CONECT    6    7    7   11   39                                       
CONECT    7    6    6    8   40                                       
CONECT    8    7   28    9    9                                       
CONECT    9    8    8   10   41                                       
CONECT   10   11   11    9   42                                       
CONECT   11    6   12   10   10                                       
CONECT   12    1   11   43   44                                       
CONECT   13   30   30   22    1                                       
CONECT   14    2    2   15   23                                       
CONECT   15   26   14   45   46                                       
CONECT   16    3    3   27   47                                       
CONECT   17    3    4    4   48                                       
CONECT   18   27   27    4    5                                       
CONECT   19    5    5   20   49                                       
CONECT   20   21   21   19   50                                       
CONECT   21   33   34   20   20                                       
CONECT   22   29   13   51                                            
CONECT   23   14   24   24                                            
CONECT   24   25   23   23                                            
CONECT   25    2    1   24                                            
CONECT   26   15   34   52                                            
CONECT   27   16   18   18                                            
CONECT   28    8   53                                                 
CONECT   29   22   54                                                 
CONECT   30   13   13                                                 
CONECT   31   34   34                                                 
CONECT   32   34   34                                                 
CONECT   33    5   21                                                 
CONECT   34   26   32   32   21                                       
CONECT   34   31   31                                                 
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   12                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
