COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.459   0.600  -0.577  1.00  0.00           N  
HETATM    2  C   UNL     1       5.464   2.867  -1.691  1.00  0.00           C  
HETATM    3  C   UNL     1       5.143   0.672  -0.748  1.00  0.00           C  
HETATM    4  C   UNL     1       4.591   1.829  -1.322  1.00  0.00           C  
HETATM    5  C   UNL     1       2.951   0.476  -0.894  1.00  0.00           C  
HETATM    6  C   UNL     1       4.161  -1.497   0.112  1.00  0.00           C  
HETATM    7  C   UNL     1       0.511  -3.266  -0.211  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.379  -1.687  -0.895  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.615   0.678  -1.256  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.186  -0.575  -1.119  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.631   2.204  -1.324  1.00  0.00           C  
HETATM   12  C   UNL     1       7.238   1.597  -0.938  1.00  0.00           C  
HETATM   13  N   UNL     1       6.766   2.705  -1.480  1.00  0.00           N  
HETATM   14  N   UNL     1       3.250   1.645  -1.382  1.00  0.00           N  
HETATM   15  N   UNL     1       4.085  -0.163  -0.489  1.00  0.00           N  
HETATM   16  C   UNL     1       2.941  -2.198   2.102  1.00  0.00           C  
HETATM   17  C   UNL     1       4.174  -1.379   1.648  1.00  0.00           C  
HETATM   18  O   UNL     1       3.000  -2.265  -0.248  1.00  0.00           O  
HETATM   19  C   UNL     1       2.691  -3.115   0.878  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.929  -3.707  -0.258  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.789  -2.545  -0.493  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.125  -2.700  -0.574  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.991  -1.529  -0.810  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.617  -3.805  -0.452  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.241   0.834  -1.173  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.429  -0.257  -0.951  1.00  0.00           C  
HETATM   27  O   UNL     1      -5.936  -2.917  -0.754  1.00  0.00           O  
HETATM   28  O   UNL     1      -7.536  -0.720  -1.202  1.00  0.00           O  
HETATM   29  O   UNL     1       3.243  -2.972   3.265  1.00  0.00           O  
HETATM   30  O   UNL     1       5.373  -1.943   2.183  1.00  0.00           O  
HETATM   31  N   UNL     1       4.978   4.031  -2.260  1.00  0.00           N  
HETATM   32  C   UNL     1       1.251  -3.556   0.830  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.536   2.863   0.028  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.401   2.697   0.800  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.362   4.073   2.508  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.492   4.249   1.731  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.315   3.301   2.040  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.581   3.639   0.493  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.268   4.731   3.860  1.00  0.00           C  
HETATM   40  H   UNL     1       1.952   0.073  -0.820  1.00  0.00           H  
HETATM   41  H   UNL     1       5.062  -2.006  -0.228  1.00  0.00           H  
HETATM   42  H   UNL     1       0.933  -2.710  -1.035  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.243   1.539  -1.430  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.634   2.112  -1.754  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.255   2.809  -1.980  1.00  0.00           H  
HETATM   46  H   UNL     1       8.303   1.507  -0.785  1.00  0.00           H  
HETATM   47  H   UNL     1       2.086  -1.547   2.282  1.00  0.00           H  
HETATM   48  H   UNL     1       4.075  -0.337   1.952  1.00  0.00           H  
HETATM   49  H   UNL     1       3.358  -3.977   0.901  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.062  -4.427  -1.066  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.198  -4.173   0.690  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.396  -1.663  -0.590  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.359  -0.129  -0.887  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.034  -3.402  -1.585  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.994  -0.636  -0.355  1.00  0.00           H  
HETATM   56  H   UNL     1       2.516  -3.536   3.562  1.00  0.00           H  
HETATM   57  H   UNL     1       5.434  -1.895   3.147  1.00  0.00           H  
HETATM   58  H   UNL     1       5.591   4.741  -2.511  1.00  0.00           H  
HETATM   59  H   UNL     1       4.026   4.138  -2.409  1.00  0.00           H  
HETATM   60  H   UNL     1       0.830  -4.112   1.655  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.583   2.094   0.435  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.310   4.851   2.096  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.429   3.170   2.644  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.463   3.777  -0.114  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.826   5.722   3.752  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.265   4.823   4.290  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.643   4.125   4.517  1.00  0.00           H  
CONECT    1   12   12    3                                            
CONECT    2   31   13   13    4                                       
CONECT    3    4    4    1   15                                       
CONECT    4    2   14    3    3                                       
CONECT    5   14   14   15   40                                       
CONECT    6   15   18   17   41                                       
CONECT    7   20   32   32   42                                       
CONECT    8   27   23   23   10                                       
CONECT    9   10   10   25   43                                       
CONECT   10    8   28    9    9                                       
CONECT   11   33   25   44   45                                       
CONECT   12   13    1    1   46                                       
CONECT   13    2    2   12                                            
CONECT   14    4    5    5                                            
CONECT   15    5    3    6                                            
CONECT   16   19   17   29   47                                       
CONECT   17    6   30   16   48                                       
CONECT   18    6   19                                                 
CONECT   19   18   32   16   49                                       
CONECT   20   21    7   50   51                                       
CONECT   21   20   22   52                                            
CONECT   22   24   24   21   23                                       
CONECT   23   22    8    8   26                                       
CONECT   24   22   22                                                 
CONECT   25   26   26    9   11                                       
CONECT   26   23   25   25   53                                       
CONECT   27    8   54                                                 
CONECT   28   10   55                                                 
CONECT   29   16   56                                                 
CONECT   30   17   57                                                 
CONECT   31    2   58   59                                            
CONECT   32    7    7   19   60                                       
CONECT   33   38   38   34   11                                       
CONECT   34   37   37   33   61                                       
CONECT   35   39   36   36   37                                       
CONECT   36   35   35   38   62                                       
CONECT   37   35   34   34   63                                       
CONECT   38   36   33   33   64                                       
CONECT   39   35   65   66   67                                       
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   34                                                      
CONECT   62   36                                                      
CONECT   63   37                                                      
CONECT   64   38                                                      
CONECT   65   39                                                      
CONECT   66   39                                                      
CONECT   67   39                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
