COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.395  -1.715  -0.688  1.00  0.00           C  
HETATM    2  C   UNL     1       7.399  -0.801   1.323  1.00  0.00           C  
HETATM    3  C   UNL     1       0.233   1.313  -1.933  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.356   0.690   0.411  1.00  0.00           C  
HETATM    5  C   UNL     1       4.102   0.136  -0.651  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.942  -0.965  -0.227  1.00  0.00           C  
HETATM    7  C   UNL     1       6.215  -0.477   0.444  1.00  0.00           C  
HETATM    8  C   UNL     1       6.212  -0.572  -0.899  1.00  0.00           C  
HETATM    9  C   UNL     1       7.441  -1.030  -1.672  1.00  0.00           C  
HETATM   10  N   UNL     1       8.605  -0.849   0.480  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.030   1.699  -2.331  1.00  0.00           C  
HETATM   12  C   UNL     1       0.561   1.301  -0.576  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.394   1.679   0.370  1.00  0.00           C  
HETATM   14  C   UNL     1       9.773  -1.288   1.257  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.653   2.063  -0.042  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.972   2.072  -1.388  1.00  0.00           C  
HETATM   17  C   UNL     1       1.912   0.889  -0.143  1.00  0.00           C  
HETATM   18  O   UNL     1       2.195   0.879   1.039  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.685   2.471   0.978  1.00  0.00           C  
HETATM   20  N   UNL     1      -4.011   1.983   0.571  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.900   3.141   0.367  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.287   4.269   1.235  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.767   4.011   1.053  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.537  -0.187   0.607  1.00  0.00           O  
HETATM   25  N   UNL     1      -5.610   0.369   0.034  1.00  0.00           N  
HETATM   26  N   UNL     1       2.832   0.524  -1.059  1.00  0.00           N  
HETATM   27  N   UNL     1       5.055  -0.231  -1.446  1.00  0.00           N  
HETATM   28  S   UNL     1       4.634   0.077   0.972  1.00  0.00           S  
HETATM   29  C   UNL     1      -5.365  -1.981   0.519  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.700  -3.310   0.256  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.615  -3.607  -0.756  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.184  -2.588  -1.492  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.856  -1.271  -1.228  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.108  -4.365   1.022  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.638  -5.203   1.629  1.00  0.00           N  
HETATM   36  H   UNL     1       7.963  -2.663  -0.365  1.00  0.00           H  
HETATM   37  H   UNL     1       9.350  -1.901  -1.179  1.00  0.00           H  
HETATM   38  H   UNL     1       7.514  -0.028   2.082  1.00  0.00           H  
HETATM   39  H   UNL     1       7.247  -1.769   1.801  1.00  0.00           H  
HETATM   40  H   UNL     1       0.965   1.018  -2.670  1.00  0.00           H  
HETATM   41  H   UNL     1       7.934  -0.168  -2.122  1.00  0.00           H  
HETATM   42  H   UNL     1       7.146  -1.734  -2.449  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.285   1.709  -3.380  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.146   1.672   1.421  1.00  0.00           H  
HETATM   45  H   UNL     1      10.663  -1.249   0.628  1.00  0.00           H  
HETATM   46  H   UNL     1       9.906  -0.630   2.116  1.00  0.00           H  
HETATM   47  H   UNL     1       9.616  -2.309   1.603  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.960   2.374  -1.705  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.422   2.066   1.955  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.908   3.432  -0.683  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.909   2.909   0.705  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.564   5.251   0.852  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.580   4.162   2.279  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.208   4.385   1.910  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.407   4.462   0.128  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.281   1.063  -0.058  1.00  0.00           H  
HETATM   57  H   UNL     1       2.606   0.531  -2.002  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.658  -1.745   1.301  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.877  -4.634  -0.963  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.891  -2.820  -2.275  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.304  -0.478  -1.808  1.00  0.00           H  
CONECT    1    9   10   36   37                                       
CONECT    2    7   10   38   39                                       
CONECT    3   11   11   12   40                                       
CONECT    4   24   24   25   20                                       
CONECT    5   28   26   27   27                                       
CONECT    6   33   33   29   25                                       
CONECT    7   28    2    8    8                                       
CONECT    8    7    7   27    9                                       
CONECT    9    8    1   41   42                                       
CONECT   10    2    1   14                                            
CONECT   11    3    3   16   43                                       
CONECT   12    3   17   13   13                                       
CONECT   13   12   12   15   44                                       
CONECT   14   10   45   46   47                                       
CONECT   15   16   16   13   19                                       
CONECT   16   11   15   15   48                                       
CONECT   17   18   18   12   26                                       
CONECT   18   17   17                                                 
CONECT   19   15   20   23   49                                       
CONECT   20    4   19   21                                            
CONECT   21   20   22   50   51                                       
CONECT   22   21   23   52   53                                       
CONECT   23   19   22   54   55                                       
CONECT   24    4    4                                                 
CONECT   25    6    4   56                                            
CONECT   26   17    5   57                                            
CONECT   27    5    5    8                                            
CONECT   28    5    7                                                 
CONECT   29   30   30    6   58                                       
CONECT   30   31   34   29   29                                       
CONECT   31   32   32   30   59                                       
CONECT   32   31   31   33   60                                       
CONECT   33   32    6    6   61                                       
CONECT   34   30   35   35   35                                       
CONECT   35   34   34   34                                            
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   16                                                      
CONECT   49   19                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   29                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
