COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  B   UNL     1       0.974   1.593  -1.751  1.00  0.00           B1-
HETATM    2  P   UNL     1      -5.732   0.698   0.671  1.00  0.00           P  
HETATM    3  N   UNL     1       3.304  -4.978   0.010  1.00  0.00           N  
HETATM    4  O   UNL     1       1.095   1.616  -3.116  1.00  0.00           O  
HETATM    5  C   UNL     1       3.457  -3.688   0.249  1.00  0.00           C  
HETATM    6  N   UNL     1       2.461  -2.831   0.166  1.00  0.00           N  
HETATM    7  C   UNL     1       1.241  -3.240  -0.168  1.00  0.00           C  
HETATM    8  C   UNL     1       1.026  -4.603  -0.432  1.00  0.00           C  
HETATM    9  C   UNL     1       2.121  -5.479  -0.330  1.00  0.00           C  
HETATM   10  N   UNL     1       1.970  -6.832  -0.579  1.00  0.00           N  
HETATM   11  N   UNL     1      -0.284  -4.748  -0.742  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.873  -3.589  -0.687  1.00  0.00           C  
HETATM   13  N   UNL     1       0.026  -2.626  -0.337  1.00  0.00           N  
HETATM   14  C   UNL     1      -0.254  -1.198  -0.170  1.00  0.00           C  
HETATM   15  C   UNL     1       1.508   2.952  -3.455  1.00  0.00           C  
HETATM   16  C   UNL     1       2.286   3.475  -2.270  1.00  0.00           C  
HETATM   17  C   UNL     1       1.969   2.652  -1.199  1.00  0.00           C  
HETATM   18  C   UNL     1       3.165   4.523  -2.101  1.00  0.00           C  
HETATM   19  C   UNL     1       3.729   4.758  -0.859  1.00  0.00           C  
HETATM   20  C   UNL     1       3.413   3.944   0.212  1.00  0.00           C  
HETATM   21  C   UNL     1       2.529   2.886   0.043  1.00  0.00           C  
HETATM   22  O   UNL     1       2.216   2.084   1.094  1.00  0.00           O  
HETATM   23  C   UNL     1       2.834   2.386   2.347  1.00  0.00           C  
HETATM   24  C   UNL     1       2.364   1.384   3.403  1.00  0.00           C  
HETATM   25  C   UNL     1       0.070  -0.432  -1.471  1.00  0.00           C  
HETATM   26  O   UNL     1       1.270   0.345  -1.262  1.00  0.00           O  
HETATM   27  C   UNL     1       3.025   1.708   4.744  1.00  0.00           C  
HETATM   28  O   UNL     1       2.586   0.771   5.730  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.044   0.653  -1.551  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.312   1.887  -1.375  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.895   0.401  -0.288  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.665  -0.985   0.045  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.377   0.637  -0.589  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.134   0.512   0.616  1.00  0.00           O  
HETATM   35  O   UNL     1      -6.229   0.619   2.201  1.00  0.00           O  
HETATM   36  O   UNL     1      -6.095   2.015   0.102  1.00  0.00           O  
HETATM   37  H   UNL     1       4.436  -3.323   0.522  1.00  0.00           H  
HETATM   38  H   UNL     1       2.733  -7.427  -0.506  1.00  0.00           H  
HETATM   39  H   UNL     1       1.101  -7.186  -0.827  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.919  -3.415  -0.890  1.00  0.00           H  
HETATM   41  H   UNL     1       0.323  -0.793   0.661  1.00  0.00           H  
HETATM   42  H   UNL     1       2.143   2.934  -4.340  1.00  0.00           H  
HETATM   43  H   UNL     1       0.635   3.579  -3.634  1.00  0.00           H  
HETATM   44  H   UNL     1       3.413   5.160  -2.936  1.00  0.00           H  
HETATM   45  H   UNL     1       4.417   5.579  -0.727  1.00  0.00           H  
HETATM   46  H   UNL     1       3.853   4.130   1.180  1.00  0.00           H  
HETATM   47  H   UNL     1       3.917   2.323   2.243  1.00  0.00           H  
HETATM   48  H   UNL     1       2.557   3.395   2.655  1.00  0.00           H  
HETATM   49  H   UNL     1       1.280   1.447   3.507  1.00  0.00           H  
HETATM   50  H   UNL     1       2.641   0.375   3.095  1.00  0.00           H  
HETATM   51  H   UNL     1       0.125  -1.079  -2.347  1.00  0.00           H  
HETATM   52  H   UNL     1       4.108   1.644   4.640  1.00  0.00           H  
HETATM   53  H   UNL     1       2.748   2.716   5.052  1.00  0.00           H  
HETATM   54  H   UNL     1       2.966   0.916   6.607  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.614   0.621  -2.479  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.566   1.046   0.526  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.509   1.638  -1.000  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.722  -0.101  -1.313  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.184   0.723   2.309  1.00  0.00           H  
HETATM   60  O   UNL     1      -6.438  -0.469  -0.184  1.00  0.00           O  
HETATM   61  H   UNL     1      -6.243  -1.362   0.133  1.00  0.00           H  
CONECT    1    4   17   26   30                                       
CONECT    2   34   35   36   36                                       
CONECT    2   60                                                      
CONECT    3    5    5    9                                            
CONECT    4    1   15                                                 
CONECT    5    3    3    6   37                                       
CONECT    6    5    7    7                                            
CONECT    7    6    6    8   13                                       
CONECT    8    7    9    9   11                                       
CONECT    9    3    8    8   10                                       
CONECT   10    9   38   39                                            
CONECT   11    8   12   12                                            
CONECT   12   11   11   13   40                                       
CONECT   13    7   12   14                                            
CONECT   14   13   25   32   41                                       
CONECT   15    4   16   42   43                                       
CONECT   16   15   17   17   18                                       
CONECT   17    1   16   16   21                                       
CONECT   18   16   19   19   44                                       
CONECT   19   18   18   20   45                                       
CONECT   20   19   21   21   46                                       
CONECT   21   17   20   20   22                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   47   48                                       
CONECT   24   23   27   49   50                                       
CONECT   25   14   26   29   51                                       
CONECT   26    1   25                                                 
CONECT   27   24   28   52   53                                       
CONECT   28   27   54                                                 
CONECT   29   25   30   31   55                                       
CONECT   30    1   29                                                 
CONECT   31   29   32   33   56                                       
CONECT   32   14   31                                                 
CONECT   33   31   34   57   58                                       
CONECT   34    2   33                                                 
CONECT   35    2   59                                                 
CONECT   36    2    2                                                 
CONECT   37    5                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   31                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   35                                                      
CONECT   60    2   61                                                 
CONECT   61   60                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
