COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.967   3.594  -0.184  1.00  0.00           C  
HETATM    2  C   UNL     1       2.444   1.332  -0.742  1.00  0.00           C  
HETATM    3  C   UNL     1       1.078   1.109  -0.763  1.00  0.00           C  
HETATM    4  C   UNL     1       0.588  -0.156  -1.060  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.318  -1.672  -1.544  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.297  -2.674  -0.388  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.726  -4.073  -0.879  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.570  -4.694   0.248  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.625  -3.652   1.384  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.362  -2.301   0.673  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.644   0.582  -0.679  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.877   1.345  -0.073  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.312   0.816  -0.115  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.262   1.872   0.452  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.544   1.587  -0.564  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.495   0.347   0.925  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.239   0.576   1.354  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.617   0.064   2.628  1.00  0.00           C  
HETATM   19  C   UNL     1       1.466  -1.195  -1.334  1.00  0.00           C  
HETATM   20  C   UNL     1       2.831  -0.972  -1.313  1.00  0.00           C  
HETATM   21  C   UNL     1       3.323   0.289  -1.018  1.00  0.00           C  
HETATM   22  C   UNL     1       5.509  -0.610  -1.289  1.00  0.00           C  
HETATM   23  C   UNL     1       6.974  -0.175  -1.218  1.00  0.00           C  
HETATM   24  C   UNL     1       7.247  -0.951   1.060  1.00  0.00           C  
HETATM   25  C   UNL     1       7.537  -0.496   2.493  1.00  0.00           C  
HETATM   26  C   UNL     1       8.901   1.292   1.669  1.00  0.00           C  
HETATM   27  C   UNL     1       8.624   0.855   0.226  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.795  -0.384  -1.082  1.00  0.00           N  
HETATM   29  N   UNL     1      -2.967   0.334  -0.616  1.00  0.00           N  
HETATM   30  N   UNL     1      -7.636   1.365   0.411  1.00  0.00           N  
HETATM   31  N   UNL     1      -9.654   0.977  -0.248  1.00  0.00           N  
HETATM   32  N   UNL     1       7.304   0.210   0.161  1.00  0.00           N  
HETATM   33  O   UNL     1       2.927   2.571  -0.457  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.215   1.678  -0.371  1.00  0.00           O  
HETATM   35  O   UNL     1       4.666   0.506  -0.997  1.00  0.00           O  
HETATM   36  O   UNL     1       8.810   0.155   2.532  1.00  0.00           O  
HETATM   37  H   UNL     1       2.484   4.530   0.028  1.00  0.00           H  
HETATM   38  H   UNL     1       1.319   3.725  -1.050  1.00  0.00           H  
HETATM   39  H   UNL     1       1.367   3.308   0.680  1.00  0.00           H  
HETATM   40  H   UNL     1       0.395   1.917  -0.549  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.698  -2.045  -2.359  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.342  -1.544  -1.895  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.305  -2.716   0.062  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.323  -3.983  -1.787  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.846  -4.688  -1.070  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.577  -4.906  -0.113  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.101  -5.611   0.604  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.608  -3.651   1.853  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.850  -3.853   2.123  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.968  -1.566   1.374  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.270  -1.933   0.195  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.808   2.255  -0.670  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.602   1.566   0.958  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.587   0.595  -1.147  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.381  -0.094   0.482  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.987   2.092   1.483  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.193   2.781  -0.145  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.380   2.175  -1.454  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.242  -0.242   1.435  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.145  -0.900   2.439  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.868   0.774   2.977  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.390  -0.052   3.388  1.00  0.00           H  
HETATM   63  H   UNL     1       1.084  -2.178  -1.564  1.00  0.00           H  
HETATM   64  H   UNL     1       3.513  -1.781  -1.526  1.00  0.00           H  
HETATM   65  H   UNL     1       5.288  -0.979  -2.291  1.00  0.00           H  
HETATM   66  H   UNL     1       5.329  -1.402  -0.562  1.00  0.00           H  
HETATM   67  H   UNL     1       7.614  -1.002  -1.528  1.00  0.00           H  
HETATM   68  H   UNL     1       7.134   0.676  -1.881  1.00  0.00           H  
HETATM   69  H   UNL     1       7.991  -1.686   0.754  1.00  0.00           H  
HETATM   70  H   UNL     1       6.254  -1.398   1.015  1.00  0.00           H  
HETATM   71  H   UNL     1       6.763   0.198   2.818  1.00  0.00           H  
HETATM   72  H   UNL     1       7.551  -1.363   3.154  1.00  0.00           H  
HETATM   73  H   UNL     1       9.902   1.719   1.734  1.00  0.00           H  
HETATM   74  H   UNL     1       8.166   2.038   1.970  1.00  0.00           H  
HETATM   75  H   UNL     1       8.636   1.727  -0.427  1.00  0.00           H  
HETATM   76  H   UNL     1       9.390   0.149  -0.094  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.316  -0.514  -0.931  1.00  0.00           H  
CONECT    1   33   37   38   39                                       
CONECT    2   33   21    3    3                                       
CONECT    3    2    2    4   40                                       
CONECT    4    3   19   19   28                                       
CONECT    5   28    6   41   42                                       
CONECT    6   10    5    7   43                                       
CONECT    7    8    6   44   45                                       
CONECT    8    9    7   46   47                                       
CONECT    9   10    8   48   49                                       
CONECT   10    9    6   50   51                                       
CONECT   11   28   34   34   29                                       
CONECT   12   13   29   52   53                                       
CONECT   13   14   12   54   55                                       
CONECT   14   30   13   56   57                                       
CONECT   15   31   31   30   58                                       
CONECT   16   17   17   31   59                                       
CONECT   17   16   16   18   30                                       
CONECT   18   17   60   61   62                                       
CONECT   19   20    4    4   63                                       
CONECT   20   21   21   19   64                                       
CONECT   21   35    2   20   20                                       
CONECT   22   23   35   65   66                                       
CONECT   23   32   22   67   68                                       
CONECT   24   25   32   69   70                                       
CONECT   25   36   24   71   72                                       
CONECT   26   36   27   73   74                                       
CONECT   27   26   32   75   76                                       
CONECT   28    4    5   11                                            
CONECT   29   11   12   77                                            
CONECT   30   17   15   14                                            
CONECT   31   16   15   15                                            
CONECT   32   27   24   23                                            
CONECT   33    1    2                                                 
CONECT   34   11   11                                                 
CONECT   35   22   21                                                 
CONECT   36   26   25                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    3                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   29                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
