COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.106  -2.219   0.902  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.623  -1.181   0.537  1.00  0.00           C  
HETATM    3  N   UNL     1      -6.094  -0.001   0.913  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.898  -0.002   1.758  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.623   1.180   0.539  1.00  0.00           C  
HETATM    6  O   UNL     1      -6.105   2.217   0.905  1.00  0.00           O  
HETATM    7  C   UNL     1      -7.823   1.221  -0.309  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.405   0.001  -0.721  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.820  -1.221  -0.316  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.402  -2.413  -0.720  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.537  -2.399  -1.522  1.00  0.00           C  
HETATM   12  C   UNL     1     -10.112  -1.229  -1.928  1.00  0.00           C  
HETATM   13  C   UNL     1      -9.557   0.001  -1.535  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.112   1.233  -1.926  1.00  0.00           C  
HETATM   15  C   UNL     1      -9.537   2.402  -1.518  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.401   2.414  -0.717  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.648  -0.001   0.875  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.449  -0.002   1.723  1.00  0.00           N1+
HETATM   19  C   UNL     1      -1.250  -0.001   0.875  1.00  0.00           C  
HETATM   20  C   UNL     1       0.000  -0.002   1.758  1.00  0.00           C  
HETATM   21  C   UNL     1       1.249  -0.001   0.875  1.00  0.00           C  
HETATM   22  N   UNL     1       2.448  -0.002   1.723  1.00  0.00           N1+
HETATM   23  C   UNL     1       3.648  -0.001   0.874  1.00  0.00           C  
HETATM   24  O   UNL     1       6.110  -2.219   0.908  1.00  0.00           O  
HETATM   25  C   UNL     1       6.626  -1.181   0.541  1.00  0.00           C  
HETATM   26  N   UNL     1       6.093  -0.001   0.912  1.00  0.00           N  
HETATM   27  C   UNL     1       4.897  -0.002   1.758  1.00  0.00           C  
HETATM   28  C   UNL     1       6.623   1.180   0.539  1.00  0.00           C  
HETATM   29  O   UNL     1       6.105   2.217   0.905  1.00  0.00           O  
HETATM   30  C   UNL     1       7.823   1.221  -0.309  1.00  0.00           C  
HETATM   31  C   UNL     1       8.405   0.001  -0.721  1.00  0.00           C  
HETATM   32  C   UNL     1       7.823  -1.220  -0.312  1.00  0.00           C  
HETATM   33  C   UNL     1       8.401  -2.413  -0.722  1.00  0.00           C  
HETATM   34  C   UNL     1       9.536  -2.399  -1.525  1.00  0.00           C  
HETATM   35  C   UNL     1      10.111  -1.229  -1.930  1.00  0.00           C  
HETATM   36  C   UNL     1       9.557   0.002  -1.536  1.00  0.00           C  
HETATM   37  C   UNL     1      10.111   1.233  -1.927  1.00  0.00           C  
HETATM   38  C   UNL     1       9.536   2.402  -1.520  1.00  0.00           C  
HETATM   39  C   UNL     1       8.401   2.414  -0.717  1.00  0.00           C  
HETATM   40  H   UNL     1      -4.898   0.888   2.389  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.898  -0.892   2.387  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.970  -3.354  -0.415  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.975  -3.336  -1.832  1.00  0.00           H  
HETATM   44  H   UNL     1     -10.994  -1.248  -2.551  1.00  0.00           H  
HETATM   45  H   UNL     1     -10.995   1.253  -2.548  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.975   3.340  -1.826  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.969   3.355  -0.410  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.648  -0.890   0.245  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.648   0.890   0.247  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.449   0.821   2.306  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.449  -0.826   2.305  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.250  -0.890   0.245  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.250   0.890   0.246  1.00  0.00           H  
HETATM   54  H   UNL     1       0.000   0.888   2.388  1.00  0.00           H  
HETATM   55  H   UNL     1       0.000  -0.892   2.386  1.00  0.00           H  
HETATM   56  H   UNL     1       1.249  -0.890   0.244  1.00  0.00           H  
HETATM   57  H   UNL     1       1.249   0.890   0.246  1.00  0.00           H  
HETATM   58  H   UNL     1       2.448   0.822   2.306  1.00  0.00           H  
HETATM   59  H   UNL     1       2.448  -0.826   2.304  1.00  0.00           H  
HETATM   60  H   UNL     1       3.648  -0.890   0.244  1.00  0.00           H  
HETATM   61  H   UNL     1       3.648   0.890   0.246  1.00  0.00           H  
HETATM   62  H   UNL     1       4.897   0.888   2.388  1.00  0.00           H  
HETATM   63  H   UNL     1       4.897  -0.892   2.386  1.00  0.00           H  
HETATM   64  H   UNL     1       7.968  -3.354  -0.418  1.00  0.00           H  
HETATM   65  H   UNL     1       9.973  -3.336  -1.835  1.00  0.00           H  
HETATM   66  H   UNL     1      10.993  -1.248  -2.554  1.00  0.00           H  
HETATM   67  H   UNL     1      10.993   1.254  -2.551  1.00  0.00           H  
HETATM   68  H   UNL     1       9.973   3.340  -1.829  1.00  0.00           H  
HETATM   69  H   UNL     1       7.968   3.355  -0.410  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    9                                       
CONECT    3    2    4    5                                            
CONECT    4    3   17   40   41                                       
CONECT    5    3    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8    8   16                                       
CONECT    8    7    7    9   13                                       
CONECT    9    2    8   10   10                                       
CONECT   10    9    9   11   42                                       
CONECT   11   10   12   12   43                                       
CONECT   12   11   11   13   44                                       
CONECT   13    8   12   14   14                                       
CONECT   14   13   13   15   45                                       
CONECT   15   14   16   16   46                                       
CONECT   16    7   15   15   47                                       
CONECT   17    4   18   48   49                                       
CONECT   18   17   19   50   51                                       
CONECT   19   18   20   52   53                                       
CONECT   20   19   21   54   55                                       
CONECT   21   20   22   56   57                                       
CONECT   22   21   23   58   59                                       
CONECT   23   22   27   60   61                                       
CONECT   24   25   25                                                 
CONECT   25   24   24   26   32                                       
CONECT   26   25   27   28                                            
CONECT   27   23   26   62   63                                       
CONECT   28   26   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   31   39                                       
CONECT   31   30   30   32   36                                       
CONECT   32   25   31   33   33                                       
CONECT   33   32   32   34   64                                       
CONECT   34   33   35   35   65                                       
CONECT   35   34   34   36   66                                       
CONECT   36   31   35   37   37                                       
CONECT   37   36   36   38   67                                       
CONECT   38   37   39   39   68                                       
CONECT   39   30   38   38   69                                       
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   37                                                      
CONECT   68   38                                                      
CONECT   69   39                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
