COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -3.985   1.520  -1.254  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.179   2.477  -1.194  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.047   3.354  -0.024  1.00  0.00           N  
HETATM    4  C   UNL     1      -6.102   4.376  -0.011  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.049   2.579   1.223  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.852   1.626   1.236  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.941   0.687   0.030  1.00  0.00           C  
HETATM    8  N   UNL     1      -2.767  -0.189   0.004  1.00  0.00           N  
HETATM    9  C   UNL     1      -1.470   0.242  -0.080  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.809  -1.556   0.067  1.00  0.00           C  
HETATM   11  N   UNL     1      -3.793  -2.450   0.160  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.528  -3.738   0.202  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.298  -4.215   0.156  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.250  -3.401   0.064  1.00  0.00           C  
HETATM   15  N   UNL     1       0.037  -3.905   0.016  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.483  -2.020   0.015  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.635  -0.825  -0.080  1.00  0.00           C  
HETATM   18  C   UNL     1       0.846  -0.793  -0.158  1.00  0.00           C  
HETATM   19  C   UNL     1       1.609  -1.520   0.755  1.00  0.00           C  
HETATM   20  C   UNL     1       2.986  -1.488   0.680  1.00  0.00           C  
HETATM   21  C   UNL     1       1.477  -0.040  -1.147  1.00  0.00           C  
HETATM   22  C   UNL     1       2.854  -0.011  -1.216  1.00  0.00           C  
HETATM   23  C   UNL     1       3.612  -0.732  -0.303  1.00  0.00           C  
HETATM   24  O   UNL     1       4.969  -0.702  -0.374  1.00  0.00           O  
HETATM   25  C   UNL     1       5.596   0.469  -0.087  1.00  0.00           C  
HETATM   26  C   UNL     1       4.868   1.550   0.387  1.00  0.00           C  
HETATM   27  C   UNL     1       5.509   2.739   0.677  1.00  0.00           C  
HETATM   28  C   UNL     1       6.875   2.852   0.496  1.00  0.00           C  
HETATM   29  C   UNL     1       7.603   1.776   0.023  1.00  0.00           C  
HETATM   30  C   UNL     1       6.968   0.583  -0.263  1.00  0.00           C  
HETATM   31  H   UNL     1      -4.091   0.859  -2.114  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.063   2.095  -1.347  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.205   3.082  -2.101  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.101   1.901  -1.115  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.077   3.891   0.024  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.981   5.012   0.866  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.030   4.984  -0.913  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.982   3.258   2.073  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.972   2.003   1.291  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.928   2.202   1.182  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.863   1.040   2.155  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.845   0.082   0.103  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.161   1.275  -0.138  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.351  -4.433   0.277  1.00  0.00           H  
HETATM   45  H   UNL     1       0.185  -4.863   0.050  1.00  0.00           H  
HETATM   46  H   UNL     1       0.793  -3.300  -0.052  1.00  0.00           H  
HETATM   47  H   UNL     1       1.123  -2.108   1.519  1.00  0.00           H  
HETATM   48  H   UNL     1       3.578  -2.050   1.386  1.00  0.00           H  
HETATM   49  H   UNL     1       0.888   0.521  -1.858  1.00  0.00           H  
HETATM   50  H   UNL     1       3.344   0.572  -1.982  1.00  0.00           H  
HETATM   51  H   UNL     1       3.801   1.463   0.528  1.00  0.00           H  
HETATM   52  H   UNL     1       4.942   3.581   1.046  1.00  0.00           H  
HETATM   53  H   UNL     1       7.374   3.782   0.724  1.00  0.00           H  
HETATM   54  H   UNL     1       8.670   1.866  -0.117  1.00  0.00           H  
HETATM   55  H   UNL     1       7.538  -0.259  -0.628  1.00  0.00           H  
CONECT    1    2    7   31   32                                       
CONECT    2    1    3   33   34                                       
CONECT    3    2    4    5                                            
CONECT    4    3   35   36   37                                       
CONECT    5    3    6   38   39                                       
CONECT    6    7    5   40   41                                       
CONECT    7    1    8    6   42                                       
CONECT    8   10    7    9                                            
CONECT    9    8   17   17   43                                       
CONECT   10   11    8   16   16                                       
CONECT   11   12   12   10                                            
CONECT   12   11   11   13   44                                       
CONECT   13   12   14   14                                            
CONECT   14   13   13   16   15                                       
CONECT   15   14   45   46                                            
CONECT   16   10   10   14   17                                       
CONECT   17   16    9    9   18                                       
CONECT   18   19   17   21   21                                       
CONECT   19   20   20   18   47                                       
CONECT   20   19   19   23   48                                       
CONECT   21   18   18   22   49                                       
CONECT   22   23   23   21   50                                       
CONECT   23   20   24   22   22                                       
CONECT   24   23   25                                                 
CONECT   25   24   26   26   30                                       
CONECT   26   25   25   27   51                                       
CONECT   27   26   28   28   52                                       
CONECT   28   27   27   29   53                                       
CONECT   29   30   30   28   54                                       
CONECT   30   25   29   29   55                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    4                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44   12                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
