COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.286  -0.343   0.013  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.329  -0.815  -0.816  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.720   5.670  -0.819  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.643   4.522  -1.585  1.00  0.00           C  
HETATM    5  C   UNL     1       1.094   0.112   0.072  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.261   4.464   1.067  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.887   3.294  -0.989  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.202   3.268   0.366  1.00  0.00           C  
HETATM    9  C   UNL     1       5.301  -1.234   1.151  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.461  -1.316  -1.275  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.674  -0.702  -1.001  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.302   0.284  -0.081  1.00  0.00           C  
HETATM   13  C   UNL     1       4.723  -0.056   0.363  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.690   0.460  -0.229  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.483   0.958   0.237  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.080   0.775   0.382  1.00  0.00           N  
HETATM   17  S   UNL     1      -5.177  -1.381  -1.620  1.00  0.00           S  
HETATM   18  O   UNL     1      -2.449   2.088   0.993  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.016   5.610   0.464  1.00  0.00           N  
HETATM   20  N   UNL     1       2.318   0.442   0.427  1.00  0.00           N  
HETATM   21  N   UNL     1       2.965  -1.372  -0.715  1.00  0.00           N  
HETATM   22  S   UNL     1       1.274  -1.317  -0.873  1.00  0.00           S  
HETATM   23  C   UNL     1       6.751  -0.924   1.535  1.00  0.00           C  
HETATM   24  N   UNL     1       7.501  -0.586   0.318  1.00  0.00           N  
HETATM   25  C   UNL     1       6.984   0.472  -0.560  1.00  0.00           C  
HETATM   26  C   UNL     1       5.531   0.147  -0.921  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.749  -2.369  -0.278  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.995  -2.508   0.802  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.386  -3.239   1.829  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.603  -3.890   1.812  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.424  -3.770   0.698  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.990  -2.992  -0.361  1.00  0.00           C  
HETATM   33  C   UNL     1       8.643  -1.234   0.013  1.00  0.00           C  
HETATM   34  C   UNL     1       9.100  -2.394   0.859  1.00  0.00           C  
HETATM   35  O   UNL     1       9.302  -0.884  -0.943  1.00  0.00           O  
HETATM   36  C   UNL     1      -2.595   4.450   2.537  1.00  0.00           C  
HETATM   37  H   UNL     1      -1.531   6.629  -1.278  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.395   4.580  -2.634  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.834   2.381  -1.563  1.00  0.00           H  
HETATM   40  H   UNL     1       4.711  -1.392   2.054  1.00  0.00           H  
HETATM   41  H   UNL     1       5.272  -2.132   0.535  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.442  -2.215  -1.873  1.00  0.00           H  
HETATM   43  H   UNL     1       4.775   0.848   0.971  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.620   0.959   0.000  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.055   1.581   0.922  1.00  0.00           H  
HETATM   46  H   UNL     1       6.774  -0.080   2.225  1.00  0.00           H  
HETATM   47  H   UNL     1       7.198  -1.798   2.009  1.00  0.00           H  
HETATM   48  H   UNL     1       7.025   1.430  -0.041  1.00  0.00           H  
HETATM   49  H   UNL     1       7.584   0.520  -1.468  1.00  0.00           H  
HETATM   50  H   UNL     1       5.500  -0.765  -1.518  1.00  0.00           H  
HETATM   51  H   UNL     1       5.104   0.971  -1.492  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.745  -3.330   2.693  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.914  -4.487   2.657  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.381  -4.269   0.660  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.605  -2.874  -1.241  1.00  0.00           H  
HETATM   56  H   UNL     1       8.688  -3.321   0.459  1.00  0.00           H  
HETATM   57  H   UNL     1      10.189  -2.446   0.847  1.00  0.00           H  
HETATM   58  H   UNL     1       8.755  -2.255   1.883  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.673   4.541   2.665  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.254   3.514   2.978  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.098   5.286   3.030  1.00  0.00           H  
CONECT    1   13   21   21   20                                       
CONECT    2   12   12   10                                            
CONECT    3    4    4   19   37                                       
CONECT    4    7    3    3   38                                       
CONECT    5   22   20   20   16                                       
CONECT    6    8   36   19   19                                       
CONECT    7    8    8    4   39                                       
CONECT    8   18    7    7    6                                       
CONECT    9   23   13   40   41                                       
CONECT   10    2   11   11   42                                       
CONECT   11   10   10   14   17                                       
CONECT   12   16    2    2   15                                       
CONECT   13    9   26    1   43                                       
CONECT   14   15   15   11   44                                       
CONECT   15   12   18   14   14                                       
CONECT   16    5   12   45                                            
CONECT   17   11   27                                                 
CONECT   18   15    8                                                 
CONECT   19    6    6    3                                            
CONECT   20    1    5    5                                            
CONECT   21    1    1   22                                            
CONECT   22   21    5                                                 
CONECT   23   24    9   46   47                                       
CONECT   24   23   33   25                                            
CONECT   25   24   26   48   49                                       
CONECT   26   25   13   50   51                                       
CONECT   27   17   28   28   32                                       
CONECT   28   27   27   29                                            
CONECT   29   28   30   30   52                                       
CONECT   30   29   29   31   53                                       
CONECT   31   32   32   30   54                                       
CONECT   32   27   31   31   55                                       
CONECT   33   35   35   24   34                                       
CONECT   34   33   56   57   58                                       
CONECT   35   33   33                                                 
CONECT   36    6   59   60   61                                       
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    7                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   31                                                      
CONECT   55   32                                                      
CONECT   56   34                                                      
CONECT   57   34                                                      
CONECT   58   34                                                      
CONECT   59   36                                                      
CONECT   60   36                                                      
CONECT   61   36                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
