COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.669  -2.387   1.071  1.00  0.00           N  
HETATM    2  C   UNL     1       4.718  -3.152   0.844  1.00  0.00           C  
HETATM    3  C   UNL     1       4.879  -4.428   1.630  1.00  0.00           C  
HETATM    4  N   UNL     1       5.630  -2.832  -0.052  1.00  0.00           N  
HETATM    5  C   UNL     1       5.520  -1.714  -0.763  1.00  0.00           C  
HETATM    6  N   UNL     1       6.480  -1.381  -1.705  1.00  0.00           N  
HETATM    7  C   UNL     1       4.420  -0.881  -0.547  1.00  0.00           C  
HETATM    8  C   UNL     1       3.490  -1.257   0.402  1.00  0.00           C  
HETATM    9  C   UNL     1       4.253   0.396  -1.330  1.00  0.00           C  
HETATM   10  C   UNL     1       3.053   1.148  -0.813  1.00  0.00           C  
HETATM   11  C   UNL     1       3.139   2.052   0.164  1.00  0.00           C  
HETATM   12  S   UNL     1       1.544   2.716   0.496  1.00  0.00           S  
HETATM   13  C   UNL     1       0.830   1.698  -0.748  1.00  0.00           C  
HETATM   14  C   UNL     1       1.779   0.957  -1.321  1.00  0.00           C  
HETATM   15  C   UNL     1       1.487  -0.018  -2.432  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.632   1.673  -1.116  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.354   0.629  -0.262  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.740   0.605  -0.610  1.00  0.00           O  
HETATM   19  P   UNL     1      -3.804  -0.379   0.091  1.00  0.00           P  
HETATM   20  O   UNL     1      -3.761  -0.186   1.558  1.00  0.00           O  
HETATM   21  O   UNL     1      -3.435  -1.906  -0.260  1.00  0.00           O  
HETATM   22  O   UNL     1      -5.282  -0.045  -0.451  1.00  0.00           O  
HETATM   23  P   UNL     1      -6.767  -0.337   0.099  1.00  0.00           P  
HETATM   24  O   UNL     1      -6.828  -0.027   1.545  1.00  0.00           O  
HETATM   25  O   UNL     1      -7.823   0.586  -0.692  1.00  0.00           O  
HETATM   26  O   UNL     1      -7.131  -1.888  -0.133  1.00  0.00           O  
HETATM   27  C   UNL     1       4.408   2.444   0.876  1.00  0.00           C  
HETATM   28  C   UNL     1       4.425   1.817   2.272  1.00  0.00           C  
HETATM   29  O   UNL     1       4.470   3.866   0.992  1.00  0.00           O  
HETATM   30  H   UNL     1       3.734   4.253   1.487  1.00  0.00           H  
HETATM   31  H   UNL     1       5.268   2.088   0.308  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.069   2.655  -0.936  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.737   1.416  -2.170  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.917  -0.353  -0.442  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.249   0.886   0.792  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.444  -2.105  -1.206  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.741   0.463  -0.412  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.110  -2.162  -1.060  1.00  0.00           H  
HETATM   39  H   UNL     1       1.335  -1.013  -2.012  1.00  0.00           H  
HETATM   40  H   UNL     1       0.588   0.294  -2.962  1.00  0.00           H  
HETATM   41  H   UNL     1       2.328  -0.042  -3.125  1.00  0.00           H  
HETATM   42  H   UNL     1       5.144   1.012  -1.215  1.00  0.00           H  
HETATM   43  H   UNL     1       4.107   0.160  -2.384  1.00  0.00           H  
HETATM   44  H   UNL     1       2.626  -0.638   0.596  1.00  0.00           H  
HETATM   45  H   UNL     1       4.390  -5.245   1.099  1.00  0.00           H  
HETATM   46  H   UNL     1       5.939  -4.652   1.745  1.00  0.00           H  
HETATM   47  H   UNL     1       4.424  -4.309   2.613  1.00  0.00           H  
HETATM   48  H   UNL     1       7.279  -1.924  -1.796  1.00  0.00           H  
HETATM   49  H   UNL     1       6.354  -0.605  -2.273  1.00  0.00           H  
HETATM   50  H   UNL     1       4.378   0.732   2.183  1.00  0.00           H  
HETATM   51  H   UNL     1       5.343   2.101   2.786  1.00  0.00           H  
HETATM   52  H   UNL     1       3.565   2.173   2.840  1.00  0.00           H  
CONECT    1    2    8    8                                            
CONECT    2    1    4    4    3                                       
CONECT    3    2   45   46   47                                       
CONECT    4    2    2    5                                            
CONECT    5    4    7    7    6                                       
CONECT    6    5   48   49                                            
CONECT    7    5    5    9    8                                       
CONECT    8    1    1    7   44                                       
CONECT    9    7   10   42   43                                       
CONECT   10    9   11   11   14                                       
CONECT   11   10   10   27   12                                       
CONECT   12   11   13                                                 
CONECT   13   12   14   14   16                                       
CONECT   14   10   13   13   15                                       
CONECT   15   14   39   40   41                                       
CONECT   16   13   32   33   17                                       
CONECT   17   16   34   35   18                                       
CONECT   18   17   19                                                 
CONECT   19   18   20   20   21                                       
CONECT   19   22                                                      
CONECT   20   19   19                                                 
CONECT   21   19   36                                                 
CONECT   22   19   23                                                 
CONECT   23   22   24   24   25                                       
CONECT   23   26                                                      
CONECT   24   23   23                                                 
CONECT   25   23   37                                                 
CONECT   26   23   38                                                 
CONECT   27   11   29   31   28                                       
CONECT   28   27   50   51   52                                       
CONECT   29   27   30                                                 
CONECT   30   29                                                      
CONECT   31   27                                                      
CONECT   32   16                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   21                                                      
CONECT   37   25                                                      
CONECT   38   26                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44    8                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
