COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.203   4.900   0.389  1.00  0.00           O  
HETATM    2  C   UNL     1       6.638  -2.207  -0.778  1.00  0.00           C  
HETATM    3  C   UNL     1       4.577   0.704  -0.012  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.842   1.615   3.576  1.00  0.00           O  
HETATM    5  C   UNL     1       2.966   2.270  -0.486  1.00  0.00           C  
HETATM    6  N   UNL     1       8.096  -3.011   0.880  1.00  0.00           N  
HETATM    7  C   UNL     1       1.978   2.745  -1.553  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.255   2.411  -2.359  1.00  0.00           C  
HETATM    9  N   UNL     1       6.784  -1.162   1.330  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.478   1.628  -2.118  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.337  -0.619   2.338  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.454   1.005  -1.926  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.100  -2.659   0.871  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.644   0.243  -1.692  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.307  -1.122  -2.004  1.00  0.00           C  
HETATM   16  N   UNL     1       5.293  -0.459  -0.542  1.00  0.00           N  
HETATM   17  C   UNL     1      -6.277  -2.039  -2.449  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.268  -2.227   2.552  1.00  0.00           O  
HETATM   19  C   UNL     1      -7.336  -1.856  -0.406  1.00  0.00           C  
HETATM   20  O   UNL     1      -3.651  -3.045   3.303  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.431  -0.604  -0.703  1.00  0.00           C  
HETATM   22  N   UNL     1       5.934  -2.025  -1.921  1.00  0.00           N  
HETATM   23  N   UNL     1       8.043  -4.139  -1.191  1.00  0.00           N  
HETATM   24  C   UNL     1       7.607  -3.130  -0.351  1.00  0.00           C  
HETATM   25  O   UNL     1       3.330   0.891  -0.716  1.00  0.00           O  
HETATM   26  C   UNL     1       7.686  -2.051   1.689  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.075   1.030   0.677  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.869   2.842   1.467  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.699   3.712   1.002  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.338   1.619   2.239  1.00  0.00           C  
HETATM   31  C   UNL     1       6.235  -1.204   0.120  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.886   0.405   1.450  1.00  0.00           C  
HETATM   33  C   UNL     1       4.294   3.052  -0.596  1.00  0.00           C  
HETATM   34  C   UNL     1       5.378   1.998  -0.277  1.00  0.00           C  
HETATM   35  C   UNL     1       5.144  -1.000  -1.785  1.00  0.00           C  
HETATM   36  N   UNL     1      -4.202  -0.573  -2.555  1.00  0.00           N  
HETATM   37  N   UNL     1      -6.209  -2.583  -3.719  1.00  0.00           N  
HETATM   38  N   UNL     1      -7.262  -2.370  -1.620  1.00  0.00           N  
HETATM   39  N   UNL     1      -6.452  -0.995   0.053  1.00  0.00           N  
HETATM   40  N   UNL     1      -4.372   0.252  -0.528  1.00  0.00           N  
HETATM   41  O   UNL     1       0.743   2.040  -1.406  1.00  0.00           O  
HETATM   42  O   UNL     1       6.118   2.377   0.885  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.596   2.347   0.330  1.00  0.00           O  
HETATM   44  O   UNL     1       4.329   4.115   0.357  1.00  0.00           O  
HETATM   45  P   UNL     1      -2.844  -2.148   2.236  1.00  0.00           P  
HETATM   46  H   UNL     1      -1.515   5.500   0.070  1.00  0.00           H  
HETATM   47  H   UNL     1       4.396   0.582   1.056  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.578   2.384   4.099  1.00  0.00           H  
HETATM   49  H   UNL     1       2.536   2.388   0.509  1.00  0.00           H  
HETATM   50  H   UNL     1       1.802   3.814  -1.434  1.00  0.00           H  
HETATM   51  H   UNL     1       2.391   2.552  -2.543  1.00  0.00           H  
HETATM   52  H   UNL     1       0.112   2.211  -3.366  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.477   3.473  -2.258  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.027  -1.908   3.432  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.153  -2.153   0.235  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.404  -3.980   3.297  1.00  0.00           H  
HETATM   57  H   UNL     1       7.678  -4.216  -2.087  1.00  0.00           H  
HETATM   58  H   UNL     1       8.713  -4.770  -0.884  1.00  0.00           H  
HETATM   59  H   UNL     1       8.109  -1.991   2.680  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.955   1.098   1.316  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.532   3.425   2.106  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.099   3.158   0.280  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.081   3.978   1.859  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.248   1.614   2.243  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.135   0.018   0.762  1.00  0.00           H  
HETATM   66  H   UNL     1       4.425   3.441  -1.606  1.00  0.00           H  
HETATM   67  H   UNL     1       6.046   1.868  -1.129  1.00  0.00           H  
HETATM   68  H   UNL     1       4.470  -0.632  -2.544  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.884  -3.214  -4.014  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.485  -2.334  -4.315  1.00  0.00           H  
HETATM   71  H   UNL     1       6.592   3.215   0.794  1.00  0.00           H  
HETATM   72  H   UNL     1       5.142   4.640   0.332  1.00  0.00           H  
CONECT    1   29   46                                                 
CONECT    2   22   24   24   31                                       
CONECT    3   34   16   25   47                                       
CONECT    4   30   48                                                 
CONECT    5   33   25    7   49                                       
CONECT    6   24   26   26                                            
CONECT    7    5   41   50   51                                       
CONECT    8   41   10   52   53                                       
CONECT    9   31   31   26                                            
CONECT   10    8   12   12   12                                       
CONECT   11   32   45                                                 
CONECT   12   10   10   10   14                                       
CONECT   13   45   45                                                 
CONECT   14   36   36   12   40                                       
CONECT   15   17   36   21   21                                       
CONECT   16   35   31    3                                            
CONECT   17   37   38   38   15                                       
CONECT   18   45   54                                                 
CONECT   19   38   39   39   55                                       
CONECT   20   45   56                                                 
CONECT   21   15   15   40   39                                       
CONECT   22    2   35   35                                            
CONECT   23   24   57   58                                            
CONECT   24   23    2    2    6                                       
CONECT   25    3    5                                                 
CONECT   26    6    6    9   59                                       
CONECT   27   43   40   32   60                                       
CONECT   28   29   43   30   61                                       
CONECT   29    1   28   62   63                                       
CONECT   30   28   32    4   64                                       
CONECT   31    2   16    9    9                                       
CONECT   32   27   30   11   65                                       
CONECT   33   34   44    5   66                                       
CONECT   34   42   33    3   67                                       
CONECT   35   22   22   16   68                                       
CONECT   36   15   14   14                                            
CONECT   37   17   69   70                                            
CONECT   38   17   17   19                                            
CONECT   39   19   19   21                                            
CONECT   40   14   21   27                                            
CONECT   41    7    8                                                 
CONECT   42   34   71                                                 
CONECT   43   28   27                                                 
CONECT   44   33   72                                                 
CONECT   45   11   13   13   20                                       
CONECT   45   18                                                      
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   32                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   42                                                      
CONECT   72   44                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
