COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.054  -1.083   0.493  1.00  0.00           O  
HETATM    2  C   UNL     1      -5.832   0.389  -0.792  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.973  -0.346  -0.892  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.126   0.022  -0.202  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.145   1.126   0.593  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.986   1.910   0.722  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.811   1.533   0.024  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.654   2.321   0.148  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.673   3.425   0.943  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.826   3.792   1.634  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.967   3.058   1.533  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.595  -0.025  -1.546  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.712  -0.853  -0.648  1.00  0.00           C  
HETATM   14  C   UNL     1       2.141  -2.194  -0.303  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.543  -1.336  -1.112  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.685  -2.141  -0.239  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.256  -2.044  -0.710  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.017  -1.838  -1.881  1.00  0.00           O  
HETATM   19  C   UNL     1      -2.138  -3.601  -0.283  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.273  -4.433   0.666  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.603  -3.694   0.150  1.00  0.00           C  
HETATM   22  N   UNL     1       0.755  -2.186   0.170  1.00  0.00           N  
HETATM   23  P   UNL     1       2.839  -0.516  -0.169  1.00  0.00           P  
HETATM   24  O   UNL     1       2.917  -0.107   1.319  1.00  0.00           O  
HETATM   25  O   UNL     1       1.935   0.480  -0.930  1.00  0.00           O1-
HETATM   26  C   UNL     1       4.760   0.862  -0.782  1.00  0.00           C  
HETATM   27  C   UNL     1       6.035   0.965   0.057  1.00  0.00           C  
HETATM   28  C   UNL     1       5.723   0.619   1.490  1.00  0.00           C  
HETATM   29  C   UNL     1       5.821  -0.690   1.922  1.00  0.00           C  
HETATM   30  C   UNL     1       5.344   1.612   2.374  1.00  0.00           C  
HETATM   31  C   UNL     1       5.535  -1.008   3.236  1.00  0.00           C  
HETATM   32  C   UNL     1       5.054   1.294   3.687  1.00  0.00           C  
HETATM   33  C   UNL     1       5.151  -0.016   4.119  1.00  0.00           C  
HETATM   34  C   UNL     1       5.044   1.326  -2.188  1.00  0.00           C  
HETATM   35  C   UNL     1       5.653   3.052  -3.772  1.00  0.00           C  
HETATM   36  O   UNL     1       4.316  -0.496  -0.809  1.00  0.00           O  
HETATM   37  O   UNL     1       5.379   2.605  -2.417  1.00  0.00           O  
HETATM   38  O   UNL     1       4.971   0.546  -3.108  1.00  0.00           O  
HETATM   39  H   UNL     1      -6.985  -1.227  -1.517  1.00  0.00           H  
HETATM   40  H   UNL     1      -9.019  -0.579  -0.300  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.046   1.399   1.121  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.753   2.048  -0.382  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.781   4.026   1.040  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.815   4.674   2.257  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.854   3.355   2.073  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.052   0.863  -1.871  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.881  -0.614  -2.417  1.00  0.00           H  
HETATM   48  H   UNL     1       2.168  -2.517  -1.344  1.00  0.00           H  
HETATM   49  H   UNL     1       2.729  -2.882   0.306  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.269  -1.152  -2.024  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.756  -1.769   0.784  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.034  -3.984  -1.298  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.291  -3.986   1.660  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.663  -5.449   0.718  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.248  -4.456   0.297  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.219  -3.101  -0.527  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.926  -4.734   0.118  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.707  -3.312   1.165  1.00  0.00           H  
HETATM   59  H   UNL     1       0.564  -2.283   1.116  1.00  0.00           H  
HETATM   60  H   UNL     1       3.984   1.489  -0.343  1.00  0.00           H  
HETATM   61  H   UNL     1       6.782   0.272  -0.330  1.00  0.00           H  
HETATM   62  H   UNL     1       6.423   1.983   0.005  1.00  0.00           H  
HETATM   63  H   UNL     1       6.121  -1.465   1.232  1.00  0.00           H  
HETATM   64  H   UNL     1       5.268   2.635   2.037  1.00  0.00           H  
HETATM   65  H   UNL     1       5.611  -2.031   3.574  1.00  0.00           H  
HETATM   66  H   UNL     1       4.753   2.069   4.377  1.00  0.00           H  
HETATM   67  H   UNL     1       4.927  -0.264   5.146  1.00  0.00           H  
HETATM   68  H   UNL     1       6.489   2.484  -4.180  1.00  0.00           H  
HETATM   69  H   UNL     1       4.770   2.895  -4.391  1.00  0.00           H  
HETATM   70  H   UNL     1       5.906   4.112  -3.760  1.00  0.00           H  
CONECT    1   13   13                                                 
CONECT    2    3    3    7   12                                       
CONECT    3    2    2    4   39                                       
CONECT    4    3    5    5   40                                       
CONECT    5    4    4    6   41                                       
CONECT    6    5    7    7   11                                       
CONECT    7    2    6    6    8                                       
CONECT    8    7    9    9   42                                       
CONECT    9    8    8   10   43                                       
CONECT   10    9   11   11   44                                       
CONECT   11    6   10   10   45                                       
CONECT   12    2   13   46   47                                       
CONECT   13    1    1   12   15                                       
CONECT   14   22   23   48   49                                       
CONECT   15   13   16   50                                            
CONECT   16   15   17   19   51                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17                                                 
CONECT   19   16   20   21   52                                       
CONECT   20   19   53   54   55                                       
CONECT   21   19   56   57   58                                       
CONECT   22   14   17   59                                            
CONECT   23   14   24   24   25                                       
CONECT   23   36                                                      
CONECT   24   23   23                                                 
CONECT   25   23                                                      
CONECT   26   27   34   36   60                                       
CONECT   27   26   28   61   62                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28   31   63                                       
CONECT   30   28   32   32   64                                       
CONECT   31   29   33   33   65                                       
CONECT   32   30   30   33   66                                       
CONECT   33   31   31   32   67                                       
CONECT   34   26   37   38   38                                       
CONECT   35   37   68   69   70                                       
CONECT   36   23   26                                                 
CONECT   37   34   35                                                 
CONECT   38   34   34                                                 
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   29                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   35                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
