COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.510  -0.422  -0.082  1.00  0.00           C  
HETATM    2  C   UNL     1       8.235   0.535   0.097  1.00  0.00           C  
HETATM    3  C   UNL     1      10.733   0.593   0.116  1.00  0.00           C  
HETATM    4  C   UNL     1      13.231   0.651   0.134  1.00  0.00           C  
HETATM    5  C   UNL     1      16.998  -0.132   0.010  1.00  0.00           C  
HETATM    6  C   UNL     1      18.226   0.767   0.171  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.306  -1.115  -0.109  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.460  -0.408   0.788  1.00  0.00           C  
HETATM    9  P   UNL     1      -7.966  -1.125   0.152  1.00  0.00           P  
HETATM   10  C   UNL     1      -4.131  -0.137  -0.062  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.243   0.795  -1.140  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.818  -0.912  -0.192  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.700   0.000  -0.030  1.00  0.00           O  
HETATM   14  C   UNL     1      -0.467  -0.525  -0.117  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.327  -1.707  -0.323  1.00  0.00           O  
HETATM   16  C   UNL     1       0.742   0.361   0.041  1.00  0.00           C  
HETATM   17  C   UNL     1       2.012  -0.480  -0.101  1.00  0.00           C  
HETATM   18  C   UNL     1       3.240   0.419   0.060  1.00  0.00           C  
HETATM   19  C   UNL     1       5.737   0.477   0.078  1.00  0.00           C  
HETATM   20  C   UNL     1       7.008  -0.364  -0.064  1.00  0.00           C  
HETATM   21  C   UNL     1       9.505  -0.306  -0.045  1.00  0.00           C  
HETATM   22  C   UNL     1      12.003  -0.248  -0.027  1.00  0.00           C  
HETATM   23  C   UNL     1      14.501  -0.190  -0.008  1.00  0.00           C  
HETATM   24  C   UNL     1      15.728   0.709   0.153  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.525  -0.407   0.129  1.00  0.00           O  
HETATM   26  O   UNL     1      -7.948  -2.236   1.130  1.00  0.00           O  
HETATM   27  O   UNL     1      -8.300  -1.704  -1.312  1.00  0.00           O  
HETATM   28  O   UNL     1      -9.091  -0.055   0.576  1.00  0.00           O  
HETATM   29  C   UNL     1     -11.254   0.841   1.178  1.00  0.00           C  
HETATM   30  N   UNL     1     -11.296   1.769   0.040  1.00  0.00           N1+
HETATM   31  C   UNL     1     -11.823   1.072  -1.141  1.00  0.00           C  
HETATM   32  C   UNL     1     -12.168   2.905   0.367  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.941   2.258  -0.244  1.00  0.00           C  
HETATM   34  H   UNL     1       4.522  -1.194   0.687  1.00  0.00           H  
HETATM   35  H   UNL     1       4.528  -0.889  -1.067  1.00  0.00           H  
HETATM   36  H   UNL     1       8.223   1.308  -0.672  1.00  0.00           H  
HETATM   37  H   UNL     1       8.217   1.002   1.082  1.00  0.00           H  
HETATM   38  H   UNL     1      10.720   1.366  -0.653  1.00  0.00           H  
HETATM   39  H   UNL     1      10.715   1.060   1.100  1.00  0.00           H  
HETATM   40  H   UNL     1      13.218   1.424  -0.635  1.00  0.00           H  
HETATM   41  H   UNL     1      13.212   1.118   1.119  1.00  0.00           H  
HETATM   42  H   UNL     1      17.017  -0.599  -0.974  1.00  0.00           H  
HETATM   43  H   UNL     1      17.011  -0.905   0.779  1.00  0.00           H  
HETATM   44  H   UNL     1      18.214   1.540  -0.598  1.00  0.00           H  
HETATM   45  H   UNL     1      18.208   1.234   1.156  1.00  0.00           H  
HETATM   46  H   UNL     1      19.131   0.168   0.070  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.347  -1.588  -1.090  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.174  -1.879   0.658  1.00  0.00           H  
HETATM   49  H   UNL     1     -10.873  -0.829  -0.128  1.00  0.00           H  
HETATM   50  H   UNL     1     -10.525  -1.144   1.589  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.143   0.400   0.886  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.239   0.385  -2.016  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.773  -1.683   0.577  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.766  -1.377  -1.177  1.00  0.00           H  
HETATM   55  H   UNL     1       0.730   1.133  -0.728  1.00  0.00           H  
HETATM   56  H   UNL     1       0.724   0.828   1.026  1.00  0.00           H  
HETATM   57  H   UNL     1       2.024  -1.253   0.668  1.00  0.00           H  
HETATM   58  H   UNL     1       2.030  -0.947  -1.086  1.00  0.00           H  
HETATM   59  H   UNL     1       3.221   0.886   1.044  1.00  0.00           H  
HETATM   60  H   UNL     1       3.227   1.192  -0.709  1.00  0.00           H  
HETATM   61  H   UNL     1       5.725   1.250  -0.690  1.00  0.00           H  
HETATM   62  H   UNL     1       5.719   0.944   1.063  1.00  0.00           H  
HETATM   63  H   UNL     1       7.026  -0.831  -1.048  1.00  0.00           H  
HETATM   64  H   UNL     1       7.020  -1.137   0.705  1.00  0.00           H  
HETATM   65  H   UNL     1       9.517  -1.079   0.724  1.00  0.00           H  
HETATM   66  H   UNL     1       9.523  -0.773  -1.030  1.00  0.00           H  
HETATM   67  H   UNL     1      12.015  -1.020   0.742  1.00  0.00           H  
HETATM   68  H   UNL     1      12.021  -0.715  -1.011  1.00  0.00           H  
HETATM   69  H   UNL     1      14.513  -0.962   0.761  1.00  0.00           H  
HETATM   70  H   UNL     1      14.519  -0.657  -0.993  1.00  0.00           H  
HETATM   71  H   UNL     1      15.710   1.176   1.137  1.00  0.00           H  
HETATM   72  H   UNL     1      15.716   1.482  -0.616  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.328  -1.030  -2.005  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.269   0.555   1.452  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.772   1.328   2.026  1.00  0.00           H  
HETATM   76  H   UNL     1     -12.828   0.709  -0.931  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.854   1.761  -1.985  1.00  0.00           H  
HETATM   78  H   UNL     1     -11.175   0.229  -1.384  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.778   3.422   1.243  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.200   3.594  -0.477  1.00  0.00           H  
HETATM   81  H   UNL     1     -13.174   2.542   0.578  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.346   1.452  -0.674  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.994   3.087  -0.950  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.476   2.599   0.682  1.00  0.00           H  
CONECT    1   18   19   34   35                                       
CONECT    2   20   21   36   37                                       
CONECT    3   21   22   38   39                                       
CONECT    4   22   23   40   41                                       
CONECT    5    6   24   42   43                                       
CONECT    6    5   44   45   46                                       
CONECT    7   10   25   47   48                                       
CONECT    8   28   29   49   50                                       
CONECT    9   25   26   26   27                                       
CONECT    9   28                                                      
CONECT   10    7   11   12   51                                       
CONECT   11   10   52                                                 
CONECT   12   10   13   53   54                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   55   56                                       
CONECT   17   16   18   57   58                                       
CONECT   18    1   17   59   60                                       
CONECT   19    1   20   61   62                                       
CONECT   20    2   19   63   64                                       
CONECT   21    2    3   65   66                                       
CONECT   22    3    4   67   68                                       
CONECT   23    4   24   69   70                                       
CONECT   24    5   23   71   72                                       
CONECT   25    7    9                                                 
CONECT   26    9    9                                                 
CONECT   27    9   73                                                 
CONECT   28    8    9                                                 
CONECT   29    8   30   74   75                                       
CONECT   30   29   31   32   33                                       
CONECT   31   30   76   77   78                                       
CONECT   32   30   79   80   81                                       
CONECT   33   30   82   83   84                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   21                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   27                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
