COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.887  -1.230   0.380  1.00  0.00           C  
HETATM    2  C   UNL     1       7.283  -0.469  -0.657  1.00  0.00           C  
HETATM    3  C   UNL     1       8.667  -0.615  -1.274  1.00  0.00           C  
HETATM    4  C   UNL     1       9.252  -1.957  -0.822  1.00  0.00           C  
HETATM    5  C   UNL     1       7.738  -2.288   1.041  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.359   2.773   0.132  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.258   3.687  -0.901  1.00  0.00           C  
HETATM    8  C   UNL     1       0.906   3.776  -1.644  1.00  0.00           C  
HETATM    9  C   UNL     1       1.974   2.952  -1.358  1.00  0.00           C  
HETATM   10  C   UNL     1       1.879   2.027  -0.316  1.00  0.00           C  
HETATM   11  C   UNL     1       0.704   1.947   0.433  1.00  0.00           C  
HETATM   12  C   UNL     1       3.020   1.141  -0.004  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.631   2.684   0.936  1.00  0.00           C  
HETATM   14  O   UNL     1       2.934   0.337   0.904  1.00  0.00           O  
HETATM   15  C   UNL     1       5.227   0.391  -0.432  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.649   0.488   0.238  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.534   1.713   0.314  1.00  0.00           N  
HETATM   18  O   UNL     1      -4.079   2.051   1.875  1.00  0.00           O  
HETATM   19  N   UNL     1       9.138  -2.078   0.638  1.00  0.00           N  
HETATM   20  N   UNL     1       4.155   1.224  -0.725  1.00  0.00           N  
HETATM   21  N   UNL     1       6.358   0.389  -1.060  1.00  0.00           N  
HETATM   22  S   UNL     1       5.247  -0.775   0.818  1.00  0.00           S  
HETATM   23  C   UNL     1      -3.740   1.466   0.863  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.892   0.148   0.692  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.383  -0.775  -0.165  1.00  0.00           N  
HETATM   26  N   UNL     1      -5.400  -0.979  -1.144  1.00  0.00           N  
HETATM   27  N   UNL     1      -4.397  -0.217  -0.879  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.583   0.697   1.914  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.630  -1.405  -0.088  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.142  -2.409  -1.025  1.00  0.00           C  
HETATM   31  N   UNL     1      -9.334  -2.766  -0.633  1.00  0.00           N  
HETATM   32  O   UNL     1      -9.642  -2.033   0.540  1.00  0.00           O  
HETATM   33  N   UNL     1      -8.531  -1.203   0.831  1.00  0.00           N  
HETATM   34  N   UNL     1      -7.472  -2.898  -2.141  1.00  0.00           N  
HETATM   35  C   UNL     1      10.000  -3.154   1.145  1.00  0.00           C  
HETATM   36  H   UNL     1       8.589  -0.595  -2.361  1.00  0.00           H  
HETATM   37  H   UNL     1       9.308   0.199  -0.936  1.00  0.00           H  
HETATM   38  H   UNL     1       8.704  -2.770  -1.298  1.00  0.00           H  
HETATM   39  H   UNL     1      10.302  -2.010  -1.110  1.00  0.00           H  
HETATM   40  H   UNL     1       7.652  -2.204   2.124  1.00  0.00           H  
HETATM   41  H   UNL     1       7.409  -3.276   0.720  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.092   4.335  -1.130  1.00  0.00           H  
HETATM   43  H   UNL     1       0.978   4.491  -2.450  1.00  0.00           H  
HETATM   44  H   UNL     1       2.882   3.021  -1.939  1.00  0.00           H  
HETATM   45  H   UNL     1       0.624   1.235   1.240  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.398   2.366   1.951  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.113   3.662   0.963  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.264   1.246  -0.492  1.00  0.00           H  
HETATM   49  H   UNL     1       4.224   1.865  -1.449  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.163   1.578   1.638  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.248  -0.061   2.326  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.838   0.971   2.660  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.893  -3.566  -2.705  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.584  -2.572  -2.355  1.00  0.00           H  
HETATM   55  H   UNL     1      11.038  -2.939   0.892  1.00  0.00           H  
HETATM   56  H   UNL     1       9.896  -3.222   2.228  1.00  0.00           H  
HETATM   57  H   UNL     1       9.704  -4.101   0.692  1.00  0.00           H  
CONECT    1   22    5    2    2                                       
CONECT    2    1    1   21    3                                       
CONECT    3    2    4   36   37                                       
CONECT    4    3   19   38   39                                       
CONECT    5    1   19   40   41                                       
CONECT    6    7    7   11   13                                       
CONECT    7    8    6    6   42                                       
CONECT    8    9    9    7   43                                       
CONECT    9    8    8   10   44                                       
CONECT   10    9   12   11   11                                       
CONECT   11   10   10    6   45                                       
CONECT   12   14   14   10   20                                       
CONECT   13    6   17   46   47                                       
CONECT   14   12   12                                                 
CONECT   15   22   20   21   21                                       
CONECT   16   27   24   24   23                                       
CONECT   17   23   13   48                                            
CONECT   18   23   23                                                 
CONECT   19    5    4   35                                            
CONECT   20   12   15   49                                            
CONECT   21   15   15    2                                            
CONECT   22   15    1                                                 
CONECT   23   16   17   18   18                                       
CONECT   24   25   16   16   28                                       
CONECT   25   26   29   24                                            
CONECT   26   25   27   27                                            
CONECT   27   26   26   16                                            
CONECT   28   24   50   51   52                                       
CONECT   29   30   25   33   33                                       
CONECT   30   34   31   31   29                                       
CONECT   31   30   30   32                                            
CONECT   32   31   33                                                 
CONECT   33   29   29   32                                            
CONECT   34   30   53   54                                            
CONECT   35   19   55   56   57                                       
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   17                                                      
CONECT   49   20                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
CONECT   53   34                                                      
CONECT   54   34                                                      
CONECT   55   35                                                      
CONECT   56   35                                                      
CONECT   57   35                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
