COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.552   2.732  -1.057  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.843   1.113  -0.305  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.089  -0.054  -0.027  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.236  -2.883   1.356  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.905  -2.028   0.322  1.00  0.00           C  
HETATM    6  C   UNL     1       0.462  -2.104  -0.309  1.00  0.00           C  
HETATM    7  C   UNL     1       2.629  -0.910  -0.199  1.00  0.00           C  
HETATM    8  C   UNL     1       3.416   0.093   0.323  1.00  0.00           C  
HETATM    9  C   UNL     1       4.738   0.224  -0.115  1.00  0.00           C  
HETATM   10  C   UNL     1       5.259  -0.712  -1.122  1.00  0.00           C  
HETATM   11  C   UNL     1       5.817   1.078   0.161  1.00  0.00           C  
HETATM   12  C   UNL     1       5.832   2.163   1.072  1.00  0.00           C  
HETATM   13  C   UNL     1       4.402  -1.717  -1.616  1.00  0.00           C  
HETATM   14  O   UNL     1       4.834   2.433   1.713  1.00  0.00           O  
HETATM   15  O   UNL     1       6.953   2.898   1.228  1.00  0.00           O  
HETATM   16  N   UNL     1       6.849   0.654  -0.626  1.00  0.00           N  
HETATM   17  N   UNL     1       6.511  -0.356  -1.345  1.00  0.00           N  
HETATM   18  C   UNL     1       3.130  -1.805  -1.155  1.00  0.00           C  
HETATM   19  N   UNL     1       1.311  -1.042   0.237  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.489  -2.821   1.941  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.419  -1.905   1.497  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.828  -1.102  -0.137  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.505  -0.262  -1.153  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.098  -1.036   0.453  1.00  0.00           C  
HETATM   25  O   UNL     1      -3.919   0.837  -1.016  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.929   1.493  -1.158  1.00  0.00           N  
HETATM   27  N   UNL     1      -5.316   0.117   0.434  1.00  0.00           N  
HETATM   28  N   UNL     1      -7.121   1.641  -0.180  1.00  0.00           N  
HETATM   29  C   UNL     1      -8.039   1.107   0.830  1.00  0.00           C  
HETATM   30  H   UNL     1      -8.009   2.317  -1.956  1.00  0.00           H  
HETATM   31  H   UNL     1      -8.278   3.354  -0.534  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.689   3.337  -1.335  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.514  -3.606   1.707  1.00  0.00           H  
HETATM   34  H   UNL     1       0.909  -3.074  -0.092  1.00  0.00           H  
HETATM   35  H   UNL     1       0.371  -1.979  -1.388  1.00  0.00           H  
HETATM   36  H   UNL     1       3.017   0.772   1.062  1.00  0.00           H  
HETATM   37  H   UNL     1       4.759  -2.418  -2.356  1.00  0.00           H  
HETATM   38  H   UNL     1       6.867   3.615   1.870  1.00  0.00           H  
HETATM   39  H   UNL     1       7.727   1.065  -0.642  1.00  0.00           H  
HETATM   40  H   UNL     1       2.483  -2.579  -1.540  1.00  0.00           H  
HETATM   41  H   UNL     1       0.956  -0.430   0.901  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.739  -3.493   2.749  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.396  -1.861   1.957  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.713  -0.609  -2.031  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.987   1.642   0.778  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.209   0.047   0.641  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.603   1.234   1.821  1.00  0.00           H  
CONECT    1   28   30   31   32                                       
CONECT    2   27   26   26   28                                       
CONECT    3   24   25   27   27                                       
CONECT    4   20   20    5   33                                       
CONECT    5    4    6   22   22                                       
CONECT    6   19    5   34   35                                       
CONECT    7   18    8    8   19                                       
CONECT    8    9    7    7   36                                       
CONECT    9   10   11   11    8                                       
CONECT   10   17   17   13    9                                       
CONECT   11   16    9    9   12                                       
CONECT   12   14   14   11   15                                       
CONECT   13   10   18   18   37                                       
CONECT   14   12   12                                                 
CONECT   15   12   38                                                 
CONECT   16   17   11   39                                            
CONECT   17   16   10   10                                            
CONECT   18   13   13    7   40                                       
CONECT   19    7    6   41                                            
CONECT   20    4    4   21   42                                       
CONECT   21   20   24   24   43                                       
CONECT   22    5    5   24   23                                       
CONECT   23   22   44                                                 
CONECT   24   21   21   22    3                                       
CONECT   25    3   26                                                 
CONECT   26   25    2    2                                            
CONECT   27    3    3    2                                            
CONECT   28    2    1   29                                            
CONECT   29   28   45   46   47                                       
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
CONECT   45   29                                                      
CONECT   46   29                                                      
CONECT   47   29                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
