COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.536   0.033  -1.307  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.435  -1.126  -0.350  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.472  -3.404  -0.002  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.256  -3.246   1.354  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.394   1.184   1.148  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.593   0.259   0.633  1.00  0.00           N  
HETATM    7  C   UNL     1       0.740   0.745  -0.401  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.893   1.897   0.470  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.937   2.488   1.327  1.00  0.00           C  
HETATM   10  N   UNL     1       1.977   0.422  -0.918  1.00  0.00           N  
HETATM   11  C   UNL     1       2.865   1.591  -0.925  1.00  0.00           C  
HETATM   12  C   UNL     1       4.167   1.237  -1.650  1.00  0.00           C  
HETATM   13  C   UNL     1       7.070  -0.773  -0.575  1.00  0.00           C  
HETATM   14  C   UNL     1       8.488  -1.321   1.739  1.00  0.00           C  
HETATM   15  C   UNL     1       7.315  -0.594   1.801  1.00  0.00           C  
HETATM   16  C   UNL     1       6.604  -0.319   0.645  1.00  0.00           C  
HETATM   17  C   UNL     1       5.310   0.444   0.447  1.00  0.00           C  
HETATM   18  C   UNL     1       3.869  -1.133  -0.883  1.00  0.00           C  
HETATM   19  C   UNL     1       2.576  -0.700  -0.184  1.00  0.00           C  
HETATM   20  F   UNL     1      -4.308   0.700  -1.364  1.00  0.00           F  
HETATM   21  F   UNL     1      -5.869  -0.441  -2.581  1.00  0.00           F  
HETATM   22  F   UNL     1      -6.527   0.917  -0.866  1.00  0.00           F  
HETATM   23  N   UNL     1      -5.554  -2.358  -0.803  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.119  -1.969   1.873  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.211  -0.886   1.000  1.00  0.00           C  
HETATM   26  S   UNL     1      -5.044   0.762   1.600  1.00  0.00           S  
HETATM   27  C   UNL     1      -1.356   0.580   0.289  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.304  -0.125  -0.262  1.00  0.00           N  
HETATM   29  N   UNL     1       0.391   1.932   0.030  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.704   2.815   0.992  1.00  0.00           N  
HETATM   31  C   UNL     1       4.825   0.050  -0.957  1.00  0.00           C  
HETATM   32  C   UNL     1       6.123  -0.345  -1.677  1.00  0.00           C  
HETATM   33  C   UNL     1       8.246  -1.502  -0.634  1.00  0.00           C  
HETATM   34  C   UNL     1       8.954  -1.776   0.520  1.00  0.00           C  
HETATM   35  N   UNL     1       5.556   1.891   0.514  1.00  0.00           N  
HETATM   36  H   UNL     1      -5.575  -4.397  -0.413  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.190  -4.108   2.000  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.596   3.236   1.742  1.00  0.00           H  
HETATM   39  H   UNL     1       2.375   2.417  -1.440  1.00  0.00           H  
HETATM   40  H   UNL     1       3.089   1.884   0.101  1.00  0.00           H  
HETATM   41  H   UNL     1       3.947   0.978  -2.686  1.00  0.00           H  
HETATM   42  H   UNL     1       4.842   2.093  -1.625  1.00  0.00           H  
HETATM   43  H   UNL     1       9.040  -1.533   2.642  1.00  0.00           H  
HETATM   44  H   UNL     1       6.951  -0.239   2.754  1.00  0.00           H  
HETATM   45  H   UNL     1       4.578   0.150   1.199  1.00  0.00           H  
HETATM   46  H   UNL     1       4.334  -1.941  -0.319  1.00  0.00           H  
HETATM   47  H   UNL     1       3.639  -1.479  -1.891  1.00  0.00           H  
HETATM   48  H   UNL     1       2.802  -0.389   0.836  1.00  0.00           H  
HETATM   49  H   UNL     1       1.877  -1.536  -0.163  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.950  -1.816   2.929  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.306  -1.064  -0.506  1.00  0.00           H  
HETATM   52  H   UNL     1       6.532   0.509  -2.217  1.00  0.00           H  
HETATM   53  H   UNL     1       5.940  -1.174  -2.361  1.00  0.00           H  
HETATM   54  H   UNL     1       8.611  -1.857  -1.587  1.00  0.00           H  
HETATM   55  H   UNL     1       9.871  -2.344   0.470  1.00  0.00           H  
HETATM   56  H   UNL     1       5.920   2.154   1.418  1.00  0.00           H  
HETATM   57  H   UNL     1       6.174   2.188  -0.225  1.00  0.00           H  
CONECT    1    2   21   22   20                                       
CONECT    2   23   23   25    1                                       
CONECT    3    4    4   23   36                                       
CONECT    4    3    3   24   37                                       
CONECT    5    6    6    9   26                                       
CONECT    6   27    5    5                                            
CONECT    7   10   28   29   29                                       
CONECT    8   29   27   27   30                                       
CONECT    9   30   30    5   38                                       
CONECT   10   19   11    7                                            
CONECT   11   10   12   39   40                                       
CONECT   12   11   31   41   42                                       
CONECT   13   33   32   16   16                                       
CONECT   14   34   15   15   43                                       
CONECT   15   14   14   16   44                                       
CONECT   16   13   13   15   17                                       
CONECT   17   16   31   35   45                                       
CONECT   18   19   31   46   47                                       
CONECT   19   10   18   48   49                                       
CONECT   20    1                                                      
CONECT   21    1                                                      
CONECT   22    1                                                      
CONECT   23    3    2    2                                            
CONECT   24    4   25   25   50                                       
CONECT   25   24   24    2   26                                       
CONECT   26    5   25                                                 
CONECT   27   28    8    8    6                                       
CONECT   28    7   27   51                                            
CONECT   29    7    7    8                                            
CONECT   30    8    9    9                                            
CONECT   31   32   18   12   17                                       
CONECT   32   13   31   52   53                                       
CONECT   33   34   34   13   54                                       
CONECT   34   33   33   14   55                                       
CONECT   35   17   56   57                                            
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   24                                                      
CONECT   51   28                                                      
CONECT   52   32                                                      
CONECT   53   32                                                      
CONECT   54   33                                                      
CONECT   55   34                                                      
CONECT   56   35                                                      
CONECT   57   35                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
