COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.400  -0.957  -1.148  1.00  0.00           C  
HETATM    2  N   UNL     1     -10.562  -1.173  -0.501  1.00  0.00           N  
HETATM    3  O   UNL     1       1.659   1.431   0.825  1.00  0.00           O  
HETATM    4  C   UNL     1      -8.171  -0.670  -0.384  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.969  -0.447  -1.056  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.509   0.082  -0.680  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.822  -0.178  -0.332  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.626   0.148   1.509  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.816   0.274   0.484  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.871  -0.130   1.075  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.088  -0.356   1.734  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.215  -0.615   1.016  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.373   0.578   0.574  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.771   0.756   1.822  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.426   1.039   1.901  1.00  0.00           C  
HETATM   16  C   UNL     1       0.333   1.150   0.742  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.262   0.975  -0.501  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.606   0.684  -0.588  1.00  0.00           C  
HETATM   19  C   UNL     1       6.071   2.338  -1.135  1.00  0.00           C  
HETATM   20  C   UNL     1       4.592   2.080  -1.431  1.00  0.00           C  
HETATM   21  C   UNL     1       3.846   1.850  -0.113  1.00  0.00           C  
HETATM   22  C   UNL     1       4.488   0.674   0.629  1.00  0.00           C  
HETATM   23  C   UNL     1       5.970   0.973   0.864  1.00  0.00           C  
HETATM   24  N   UNL     1       6.639   1.184  -0.426  1.00  0.00           N  
HETATM   25  C   UNL     1       2.379   1.531  -0.405  1.00  0.00           C  
HETATM   26  O   UNL     1      -9.363  -1.005  -2.363  1.00  0.00           O  
HETATM   27  C   UNL     1       7.381  -1.122  -0.605  1.00  0.00           C  
HETATM   28  C   UNL     1       6.775  -1.985   0.290  1.00  0.00           C  
HETATM   29  C   UNL     1       7.512  -2.990   0.887  1.00  0.00           C  
HETATM   30  C   UNL     1       8.854  -3.134   0.589  1.00  0.00           C  
HETATM   31  C   UNL     1       9.460  -2.273  -0.306  1.00  0.00           C  
HETATM   32  C   UNL     1       6.577  -0.026  -1.255  1.00  0.00           C  
HETATM   33  C   UNL     1       8.724  -1.262  -0.898  1.00  0.00           C  
HETATM   34  H   UNL     1       9.430  -3.920   1.056  1.00  0.00           H  
HETATM   35  H   UNL     1       5.727  -1.872   0.523  1.00  0.00           H  
HETATM   36  H   UNL     1       7.039  -3.664   1.587  1.00  0.00           H  
HETATM   37  H   UNL     1      10.508  -2.385  -0.539  1.00  0.00           H  
HETATM   38  H   UNL     1       5.540  -0.346  -1.355  1.00  0.00           H  
HETATM   39  H   UNL     1       6.988   0.188  -2.242  1.00  0.00           H  
HETATM   40  H   UNL     1       9.197  -0.589  -1.597  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.590  -1.139   0.468  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.370  -1.362  -1.003  1.00  0.00           H  
HETATM   43  H   UNL     1       2.312   0.585  -0.943  1.00  0.00           H  
HETATM   44  H   UNL     1       1.948   2.325  -1.015  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.935  -0.485  -2.135  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.150  -0.784   1.529  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.147   0.119  -1.579  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.131  -0.320   2.812  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.360   0.670   2.723  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.067   0.544  -1.555  1.00  0.00           H  
HETATM   51  H   UNL     1       0.041   1.176   2.866  1.00  0.00           H  
HETATM   52  H   UNL     1       0.331   1.061  -1.399  1.00  0.00           H  
HETATM   53  H   UNL     1       6.067   1.870   1.475  1.00  0.00           H  
HETATM   54  H   UNL     1       6.433   0.131   1.380  1.00  0.00           H  
HETATM   55  H   UNL     1       3.988   0.532   1.587  1.00  0.00           H  
HETATM   56  H   UNL     1       4.389  -0.232   0.030  1.00  0.00           H  
HETATM   57  H   UNL     1       3.908   2.747   0.502  1.00  0.00           H  
HETATM   58  H   UNL     1       4.167   2.943  -1.943  1.00  0.00           H  
HETATM   59  H   UNL     1       4.496   1.197  -2.063  1.00  0.00           H  
HETATM   60  H   UNL     1       6.608   2.488  -2.072  1.00  0.00           H  
HETATM   61  H   UNL     1       6.167   3.229  -0.515  1.00  0.00           H  
CONECT    1    2    4   26   26                                       
CONECT    2    1   41   42                                            
CONECT    3   16   25                                                 
CONECT    4    1    5   12   12                                       
CONECT    5    4    7    7   45                                       
CONECT    6    7    9   47                                            
CONECT    7    5    5    6   10                                       
CONECT    8    9    9   10                                            
CONECT    9    6    8    8   13                                       
CONECT   10    7    8   11   11                                       
CONECT   11   10   10   12   48                                       
CONECT   12    4    4   11   46                                       
CONECT   13    9   14   18   18                                       
CONECT   14   13   15   15   49                                       
CONECT   15   14   14   16   51                                       
CONECT   16    3   15   17   17                                       
CONECT   17   16   16   18   52                                       
CONECT   18   13   13   17   50                                       
CONECT   19   20   24   60   61                                       
CONECT   20   21   19   58   59                                       
CONECT   21   22   20   25   57                                       
CONECT   22   23   21   55   56                                       
CONECT   23   22   24   53   54                                       
CONECT   24   23   19   32                                            
CONECT   25    3   21   43   44                                       
CONECT   26    1    1                                                 
CONECT   27   28   28   32   33                                       
CONECT   28   27   27   29   35                                       
CONECT   29   28   30   30   36                                       
CONECT   30   29   29   31   34                                       
CONECT   31   30   33   33   37                                       
CONECT   32   24   27   38   39                                       
CONECT   33   27   31   31   40                                       
CONECT   34   30                                                      
CONECT   35   28                                                      
CONECT   36   29                                                      
CONECT   37   31                                                      
CONECT   38   32                                                      
CONECT   39   32                                                      
CONECT   40   33                                                      
CONECT   41    2                                                      
CONECT   42    2                                                      
CONECT   43   25                                                      
CONECT   44   25                                                      
CONECT   45    5                                                      
CONECT   46   12                                                      
CONECT   47    6                                                      
CONECT   48   11                                                      
CONECT   49   14                                                      
CONECT   50   18                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   21                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
