COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.770   2.708  -1.223  1.00  0.00           C  
HETATM    2  C   UNL     1       2.910   1.450  -1.077  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.474  -0.081  -0.028  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.130  -1.418   0.169  1.00  0.00           C  
HETATM    5  C   UNL     1       0.199  -1.774   0.271  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.474   0.891  -0.122  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.576   2.387  -0.330  1.00  0.00           C  
HETATM    8  C   UNL     1       2.634  -1.209   0.289  1.00  0.00           C  
HETATM    9  C   UNL     1       4.296  -2.185  -1.136  1.00  0.00           C  
HETATM   10  C   UNL     1       5.217  -2.373   0.071  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.896   0.308  -0.137  1.00  0.00           C  
HETATM   12  C   UNL     1       5.144   4.393   0.007  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.795   0.189   1.231  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.081  -1.418  -0.627  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.260  -0.998  -1.524  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.860  -0.629  -0.045  1.00  0.00           N  
HETATM   17  C   UNL     1       1.731   1.743  -0.154  1.00  0.00           C  
HETATM   18  O   UNL     1       2.934  -2.194  -0.703  1.00  0.00           O  
HETATM   19  C   UNL     1       2.223   2.196   1.217  1.00  0.00           C  
HETATM   20  C   UNL     1       0.852   0.522  -0.020  1.00  0.00           C  
HETATM   21  C   UNL     1       0.835   2.831  -0.776  1.00  0.00           C  
HETATM   22  C   UNL     1       0.577  -3.217   0.484  1.00  0.00           C  
HETATM   23  C   UNL     1       2.893  -1.781   1.659  1.00  0.00           C  
HETATM   24  C   UNL     1       4.607  -0.848  -1.812  1.00  0.00           C  
HETATM   25  C   UNL     1       4.522  -3.324  -2.133  1.00  0.00           C  
HETATM   26  C   UNL     1       3.085   3.451   1.063  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.269  -0.243  -0.153  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.001   1.000   1.138  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.174   0.237   0.489  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.989   0.256  -1.004  1.00  0.00           C  
HETATM   31  C   UNL     1       4.276   3.142   0.154  1.00  0.00           C  
HETATM   32  C   UNL     1       1.185  -0.810   0.176  1.00  0.00           C  
HETATM   33  O   UNL     1       2.775  -1.001   2.744  1.00  0.00           O  
HETATM   34  O   UNL     1       3.206  -2.941   1.780  1.00  0.00           O  
HETATM   35  O   UNL     1      -3.196   1.474  -0.310  1.00  0.00           O  
HETATM   36  H   UNL     1       4.620   2.494  -1.872  1.00  0.00           H  
HETATM   37  H   UNL     1       3.172   3.508  -1.660  1.00  0.00           H  
HETATM   38  H   UNL     1       2.539   1.148  -2.056  1.00  0.00           H  
HETATM   39  H   UNL     1       3.511   0.646  -0.653  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.900  -2.171   0.243  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.306   2.612  -1.107  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.852   2.880   0.602  1.00  0.00           H  
HETATM   43  H   UNL     1       3.265  -0.334   0.135  1.00  0.00           H  
HETATM   44  H   UNL     1       4.995  -3.326   0.552  1.00  0.00           H  
HETATM   45  H   UNL     1       6.256  -2.366  -0.260  1.00  0.00           H  
HETATM   46  H   UNL     1       5.056  -1.562   0.780  1.00  0.00           H  
HETATM   47  H   UNL     1       5.505   4.702   0.988  1.00  0.00           H  
HETATM   48  H   UNL     1       5.992   4.173  -0.640  1.00  0.00           H  
HETATM   49  H   UNL     1       4.551   5.197  -0.431  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.014  -0.701   1.820  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.021   0.766   1.738  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.470  -1.951   0.241  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.432  -2.090  -1.190  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.884  -0.795  -2.527  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.973  -1.820  -1.576  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.621  -1.559   0.093  1.00  0.00           H  
HETATM   57  H   UNL     1       1.367   2.419   1.854  1.00  0.00           H  
HETATM   58  H   UNL     1       2.815   1.401   1.670  1.00  0.00           H  
HETATM   59  H   UNL     1       0.917   2.827  -1.863  1.00  0.00           H  
HETATM   60  H   UNL     1       1.079   3.813  -0.371  1.00  0.00           H  
HETATM   61  H   UNL     1       0.708  -3.705  -0.482  1.00  0.00           H  
HETATM   62  H   UNL     1       1.509  -3.270   1.047  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.213  -3.721   1.041  1.00  0.00           H  
HETATM   64  H   UNL     1       4.834  -0.101  -1.051  1.00  0.00           H  
HETATM   65  H   UNL     1       5.466  -0.966  -2.472  1.00  0.00           H  
HETATM   66  H   UNL     1       3.744  -0.525  -2.393  1.00  0.00           H  
HETATM   67  H   UNL     1       3.865  -3.190  -2.993  1.00  0.00           H  
HETATM   68  H   UNL     1       5.560  -3.317  -2.464  1.00  0.00           H  
HETATM   69  H   UNL     1       4.300  -4.277  -1.651  1.00  0.00           H  
HETATM   70  H   UNL     1       2.489   4.250   0.621  1.00  0.00           H  
HETATM   71  H   UNL     1       3.447   3.766   2.042  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.373   0.582  -0.858  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.294   1.312   2.140  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.784   1.887   0.543  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.181  -0.794   0.844  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.114   0.723   0.748  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.410   1.139  -1.276  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.967   0.318  -1.480  1.00  0.00           H  
HETATM   79  H   UNL     1       4.869   2.339   0.592  1.00  0.00           H  
HETATM   80  H   UNL     1       2.951  -1.412   3.602  1.00  0.00           H  
CONECT    1   31    2   36   37                                       
CONECT    2   17    1   38   39                                       
CONECT    3    4    4   11    6                                       
CONECT    4    3    3    5   40                                       
CONECT    5    4   32   32   22                                       
CONECT    6    3   20   20    7                                       
CONECT    7    6   21   41   42                                       
CONECT    8   32   23   18   43                                       
CONECT    9   18   24   25   10                                       
CONECT   10    9   44   45   46                                       
CONECT   11    3   16   35   35                                       
CONECT   12   31   47   48   49                                       
CONECT   13   27   28   50   51                                       
CONECT   14   27   15   52   53                                       
CONECT   15   14   30   54   55                                       
CONECT   16   11   27   56                                            
CONECT   17    2   21   19   20                                       
CONECT   18    8    9                                                 
CONECT   19   17   26   57   58                                       
CONECT   20   17   32    6    6                                       
CONECT   21   17    7   59   60                                       
CONECT   22    5   61   62   63                                       
CONECT   23    8   33   34   34                                       
CONECT   24    9   64   65   66                                       
CONECT   25    9   67   68   69                                       
CONECT   26   19   31   70   71                                       
CONECT   27   16   13   14   72                                       
CONECT   28   13   29   73   74                                       
CONECT   29   28   30   75   76                                       
CONECT   30   29   15   77   78                                       
CONECT   31   26    1   12   79                                       
CONECT   32    5    5   20    8                                       
CONECT   33   23   80                                                 
CONECT   34   23   23                                                 
CONECT   35   11   11                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   22                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   29                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   33                                                      
MASTER        0    0    0    0    0    0    0    0   80    0   80    0
END
