COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.791   2.599  -2.135  1.00  0.00           C  
HETATM    2  C   UNL     1       6.030   1.375  -1.694  1.00  0.00           C  
HETATM    3  O   UNL     1       5.528   0.643  -2.520  1.00  0.00           O  
HETATM    4  N   UNL     1       5.908   1.095  -0.381  1.00  0.00           N  
HETATM    5  C   UNL     1       6.466   1.895   0.724  1.00  0.00           C  
HETATM    6  C   UNL     1       6.608   0.900   1.903  1.00  0.00           C  
HETATM    7  O   UNL     1       7.799   0.121   1.774  1.00  0.00           O  
HETATM    8  C   UNL     1       5.344   0.019   1.720  1.00  0.00           C  
HETATM    9  C   UNL     1       5.192  -0.057   0.186  1.00  0.00           C  
HETATM   10  C   UNL     1       3.733   0.004  -0.188  1.00  0.00           C  
HETATM   11  O   UNL     1       3.248   1.047  -0.571  1.00  0.00           O  
HETATM   12  N   UNL     1       2.967  -1.101  -0.096  1.00  0.00           N  
HETATM   13  C   UNL     1       3.425  -2.429   0.354  1.00  0.00           C  
HETATM   14  C   UNL     1       2.430  -3.429  -0.286  1.00  0.00           C  
HETATM   15  O   UNL     1       2.774  -3.694  -1.647  1.00  0.00           O  
HETATM   16  C   UNL     1       1.095  -2.643  -0.193  1.00  0.00           C  
HETATM   17  C   UNL     1       1.536  -1.181  -0.421  1.00  0.00           C  
HETATM   18  C   UNL     1       0.747  -0.262   0.476  1.00  0.00           C  
HETATM   19  O   UNL     1       1.318   0.411   1.307  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.593  -0.189   0.355  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.360   0.704   1.227  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.825   0.599   0.891  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.615  -0.334   1.538  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.957  -0.435   1.234  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.375   1.441  -0.060  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.716   1.350  -0.372  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.517   0.407   0.272  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.955   0.304  -0.058  1.00  0.00           C  
HETATM   29  S   UNL     1      -8.284   0.235   1.097  1.00  0.00           S  
HETATM   30  C   UNL     1      -9.408   0.136  -0.187  1.00  0.00           C  
HETATM   31  N   UNL     1      -8.796   0.158  -1.323  1.00  0.00           N  
HETATM   32  C   UNL     1      -7.485   0.252  -1.299  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.644   0.288  -2.550  1.00  0.00           C  
HETATM   34  H   UNL     1       6.109   3.446  -2.204  1.00  0.00           H  
HETATM   35  H   UNL     1       7.574   2.821  -1.410  1.00  0.00           H  
HETATM   36  H   UNL     1       7.241   2.414  -3.111  1.00  0.00           H  
HETATM   37  H   UNL     1       7.441   2.297   0.447  1.00  0.00           H  
HETATM   38  H   UNL     1       5.784   2.704   0.988  1.00  0.00           H  
HETATM   39  H   UNL     1       6.586   1.422   2.859  1.00  0.00           H  
HETATM   40  H   UNL     1       8.613   0.642   1.784  1.00  0.00           H  
HETATM   41  H   UNL     1       5.497  -0.974   2.142  1.00  0.00           H  
HETATM   42  H   UNL     1       4.476   0.501   2.171  1.00  0.00           H  
HETATM   43  H   UNL     1       5.633  -0.982  -0.185  1.00  0.00           H  
HETATM   44  H   UNL     1       4.437  -2.621  -0.002  1.00  0.00           H  
HETATM   45  H   UNL     1       3.386  -2.496   1.441  1.00  0.00           H  
HETATM   46  H   UNL     1       2.380  -4.353   0.290  1.00  0.00           H  
HETATM   47  H   UNL     1       3.645  -4.097  -1.761  1.00  0.00           H  
HETATM   48  H   UNL     1       0.399  -2.962  -0.969  1.00  0.00           H  
HETATM   49  H   UNL     1       0.652  -2.762   0.796  1.00  0.00           H  
HETATM   50  H   UNL     1       1.381  -0.906  -1.464  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.051  -0.728  -0.309  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.205   0.418   2.267  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.026   1.731   1.079  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.181  -0.985   2.282  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.573  -1.164   1.739  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.754   2.170  -0.558  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.144   2.008  -1.115  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.479   0.066  -0.064  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.437   1.324  -2.819  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.705  -0.236  -2.371  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.182  -0.198  -3.363  1.00  0.00           H  
CONECT    1    2   34   35   36                                       
CONECT    2    4    3    3    1                                       
CONECT    3    2    2                                                 
CONECT    4    9    5    2                                            
CONECT    5    6    4   37   38                                       
CONECT    6    8    7    5   39                                       
CONECT    7    6   40                                                 
CONECT    8    9    6   41   42                                       
CONECT    9   10    8    4   43                                       
CONECT   10   12   11   11    9                                       
CONECT   11   10   10                                                 
CONECT   12   17   13   10                                            
CONECT   13   14   12   44   45                                       
CONECT   14   16   15   13   46                                       
CONECT   15   14   47                                                 
CONECT   16   17   14   48   49                                       
CONECT   17   16   18   12   50                                       
CONECT   18   20   19   19   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   51                                            
CONECT   21   22   20   52   53                                       
CONECT   22   23   23   25   21                                       
CONECT   23   24   22   22   54                                       
CONECT   24   27   27   23   55                                       
CONECT   25   26   26   22   56                                       
CONECT   26   27   25   25   57                                       
CONECT   27   28   24   24   26                                       
CONECT   28   32   32   29   27                                       
CONECT   29   30   28                                                 
CONECT   30   31   31   29   58                                       
CONECT   31   30   30   32                                            
CONECT   32   31   33   28   28                                       
CONECT   33   32   59   60   61                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   30                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
