COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.412  -2.033  -1.075  1.00  0.00           O  
HETATM    2  P   UNL     1       6.208  -0.892   0.043  1.00  0.00           P  
HETATM    3  O   UNL     1       6.342  -1.492   1.389  1.00  0.00           O  
HETATM    4  O   UNL     1       4.742  -0.245  -0.113  1.00  0.00           O  
HETATM    5  C   UNL     1       3.538  -0.983   0.106  1.00  0.00           C  
HETATM    6  C   UNL     1       2.331  -0.071  -0.126  1.00  0.00           C  
HETATM    7  C   UNL     1       1.042  -0.862   0.108  1.00  0.00           C  
HETATM    8  O   UNL     1       7.323   0.253  -0.149  1.00  0.00           O  
HETATM    9  C   UNL     1       8.720   0.017   0.034  1.00  0.00           C  
HETATM   10  C   UNL     1       9.466   0.326  -1.268  1.00  0.00           C  
HETATM   11  C   UNL     1      10.969   0.148  -1.042  1.00  0.00           C  
HETATM   12  N   UNL     1      11.422   1.063   0.012  1.00  0.00           N1+
HETATM   13  C   UNL     1      11.084   2.443  -0.361  1.00  0.00           C  
HETATM   14  C   UNL     1      12.877   0.942   0.172  1.00  0.00           C  
HETATM   15  C   UNL     1      10.764   0.726   1.280  1.00  0.00           C  
HETATM   16  C   UNL     1       9.253   0.927   1.144  1.00  0.00           C  
HETATM   17  H   UNL     1       6.337  -1.711  -1.984  1.00  0.00           H  
HETATM   18  H   UNL     1       3.496  -1.824  -0.587  1.00  0.00           H  
HETATM   19  H   UNL     1       3.521  -1.355   1.130  1.00  0.00           H  
HETATM   20  H   UNL     1       2.373   0.769   0.567  1.00  0.00           H  
HETATM   21  H   UNL     1       2.348   0.301  -1.150  1.00  0.00           H  
HETATM   22  H   UNL     1       8.881  -1.026   0.308  1.00  0.00           H  
HETATM   23  H   UNL     1       9.132  -0.356  -2.049  1.00  0.00           H  
HETATM   24  H   UNL     1       9.263   1.354  -1.568  1.00  0.00           H  
HETATM   25  H   UNL     1      11.172  -0.880  -0.742  1.00  0.00           H  
HETATM   26  H   UNL     1      11.503   0.367  -1.967  1.00  0.00           H  
HETATM   27  H   UNL     1      10.005   2.533  -0.483  1.00  0.00           H  
HETATM   28  H   UNL     1      11.420   3.124   0.421  1.00  0.00           H  
HETATM   29  H   UNL     1      11.578   2.696  -1.300  1.00  0.00           H  
HETATM   30  H   UNL     1      13.368   1.198  -0.767  1.00  0.00           H  
HETATM   31  H   UNL     1      13.214   1.622   0.955  1.00  0.00           H  
HETATM   32  H   UNL     1      13.129  -0.082   0.447  1.00  0.00           H  
HETATM   33  H   UNL     1      10.970  -0.314   1.531  1.00  0.00           H  
HETATM   34  H   UNL     1      11.146   1.373   2.070  1.00  0.00           H  
HETATM   35  H   UNL     1       9.045   1.967   0.894  1.00  0.00           H  
HETATM   36  H   UNL     1       8.766   0.674   2.086  1.00  0.00           H  
HETATM   37  H   UNL     1       1.001  -1.702  -0.584  1.00  0.00           H  
HETATM   38  H   UNL     1       1.025  -1.234   1.133  1.00  0.00           H  
HETATM   39  C   UNL     1      -0.164   0.050  -0.123  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.453  -0.740   0.111  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.660   0.172  -0.120  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.949  -0.619   0.114  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.155   0.293  -0.117  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.444  -0.497   0.117  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.651   0.415  -0.115  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.940  -0.376   0.120  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.146   0.536  -0.112  1.00  0.00           C  
HETATM   48  C   UNL     1     -11.435  -0.254   0.122  1.00  0.00           C  
HETATM   49  C   UNL     1     -12.642   0.658  -0.109  1.00  0.00           C  
HETATM   50  C   UNL     1     -13.931  -0.133   0.125  1.00  0.00           C  
HETATM   51  C   UNL     1     -15.137   0.779  -0.106  1.00  0.00           C  
HETATM   52  C   UNL     1     -16.426  -0.011   0.128  1.00  0.00           C  
HETATM   53  C   UNL     1     -17.633   0.901  -0.104  1.00  0.00           C  
HETATM   54  H   UNL     1      -0.123   0.891   0.570  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.147   0.422  -1.147  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.495  -1.581  -0.581  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.470  -1.112   1.136  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.618   1.012   0.572  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.643   0.544  -1.145  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.990  -1.459  -0.579  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.966  -0.991   1.138  1.00  0.00           H  
HETATM   62  H   UNL     1      -5.114   1.134   0.575  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.138   0.665  -1.142  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.486  -1.338  -0.576  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.461  -0.869   1.141  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.609   1.255   0.578  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.634   0.787  -1.139  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.981  -1.216  -0.573  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.957  -0.748   1.144  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.105   1.377   0.581  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.129   0.908  -1.136  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.477  -1.095  -0.570  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.452  -0.626   1.147  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.600   1.498   0.584  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.625   1.030  -1.133  1.00  0.00           H  
HETATM   76  H   UNL     1     -13.972  -0.973  -0.568  1.00  0.00           H  
HETATM   77  H   UNL     1     -13.948  -0.505   1.149  1.00  0.00           H  
HETATM   78  H   UNL     1     -15.096   1.620   0.586  1.00  0.00           H  
HETATM   79  H   UNL     1     -15.120   1.151  -1.131  1.00  0.00           H  
HETATM   80  H   UNL     1     -16.468  -0.852  -0.565  1.00  0.00           H  
HETATM   81  H   UNL     1     -16.443  -0.383   1.152  1.00  0.00           H  
HETATM   82  H   UNL     1     -17.591   1.741   0.589  1.00  0.00           H  
HETATM   83  H   UNL     1     -17.616   1.273  -1.128  1.00  0.00           H  
HETATM   84  H   UNL     1     -18.551   0.338   0.063  1.00  0.00           H  
CONECT    1   17    2                                                 
CONECT    2    1    8    3    3                                       
CONECT    2    4                                                      
CONECT    3    2    2                                                 
CONECT    4    2    5                                                 
CONECT    5    4   18   19    6                                       
CONECT    6    5   20   21    7                                       
CONECT    7    6   37   38   39                                       
CONECT    8    2    9                                                 
CONECT    9    8   16   22   10                                       
CONECT   10   11    9   23   24                                       
CONECT   11   10   12   25   26                                       
CONECT   12   11   13   14   15                                       
CONECT   13   12   27   28   29                                       
CONECT   14   12   30   31   32                                       
CONECT   15   12   33   34   16                                       
CONECT   16    9   15   35   36                                       
CONECT   17    1                                                      
CONECT   18    5                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    6                                                      
CONECT   22    9                                                      
CONECT   23   10                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   11                                                      
CONECT   27   13                                                      
CONECT   28   13                                                      
CONECT   29   13                                                      
CONECT   30   14                                                      
CONECT   31   14                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    7   40   54   55                                       
CONECT   40   39   41   56   57                                       
CONECT   41   40   42   58   59                                       
CONECT   42   41   43   60   61                                       
CONECT   43   42   44   62   63                                       
CONECT   44   43   45   64   65                                       
CONECT   45   44   46   66   67                                       
CONECT   46   45   47   68   69                                       
CONECT   47   46   48   70   71                                       
CONECT   48   47   49   72   73                                       
CONECT   49   48   50   74   75                                       
CONECT   50   49   51   76   77                                       
CONECT   51   50   52   78   79                                       
CONECT   52   51   53   80   81                                       
CONECT   53   52   82   83   84                                       
CONECT   54   39                                                      
CONECT   55   39                                                      
CONECT   56   40                                                      
CONECT   57   40                                                      
CONECT   58   41                                                      
CONECT   59   41                                                      
CONECT   60   42                                                      
CONECT   61   42                                                      
CONECT   62   43                                                      
CONECT   63   43                                                      
CONECT   64   44                                                      
CONECT   65   44                                                      
CONECT   66   45                                                      
CONECT   67   45                                                      
CONECT   68   46                                                      
CONECT   69   46                                                      
CONECT   70   47                                                      
CONECT   71   47                                                      
CONECT   72   48                                                      
CONECT   73   48                                                      
CONECT   74   49                                                      
CONECT   75   49                                                      
CONECT   76   50                                                      
CONECT   77   50                                                      
CONECT   78   51                                                      
CONECT   79   51                                                      
CONECT   80   52                                                      
CONECT   81   52                                                      
CONECT   82   53                                                      
CONECT   83   53                                                      
CONECT   84   53                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
