COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.190   0.308  -2.020  1.00  0.00           C  
HETATM    2  C   UNL     1       0.994  -0.174  -0.176  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.968   0.278   0.352  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.420   0.159   0.073  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.298   1.153   0.502  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.130  -0.062  -0.449  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.910  -0.943  -0.625  1.00  0.00           C  
HETATM    8  C   UNL     1       5.022   0.220   0.696  1.00  0.00           C  
HETATM    9  C   UNL     1       5.429  -2.164   0.312  1.00  0.00           C  
HETATM   10  C   UNL     1       3.146  -1.158   0.250  1.00  0.00           C  
HETATM   11  C   UNL     1       2.559  -2.410   0.343  1.00  0.00           C  
HETATM   12  C   UNL     1       1.193  -2.545   0.184  1.00  0.00           C  
HETATM   13  C   UNL     1       2.364  -0.034  -0.012  1.00  0.00           C  
HETATM   14  C   UNL     1       3.384   1.497  -1.493  1.00  0.00           C  
HETATM   15  C   UNL     1       2.153   1.709  -2.376  1.00  0.00           C  
HETATM   16  C   UNL     1       4.074   1.384   0.822  1.00  0.00           C  
HETATM   17  C   UNL     1       4.819   2.683   0.510  1.00  0.00           C  
HETATM   18  C   UNL     1       0.408  -1.428  -0.075  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.827  -0.566   0.198  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.106   1.447   1.288  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.468   1.380   1.050  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.648   1.037   0.239  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.262  -1.048  -0.882  1.00  0.00           C  
HETATM   24  N   UNL     1       4.533  -1.010   0.424  1.00  0.00           N  
HETATM   25  N   UNL     1       2.957   1.226  -0.114  1.00  0.00           N  
HETATM   26  N   UNL     1      -0.975  -1.568  -0.234  1.00  0.00           N  
HETATM   27  N   UNL     1      -1.325   0.468   0.858  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.123  -0.667  -0.054  1.00  0.00           N  
HETATM   29  O   UNL     1       6.216   0.386   0.836  1.00  0.00           O  
HETATM   30  H   UNL     1       4.508   0.509  -3.043  1.00  0.00           H  
HETATM   31  H   UNL     1       5.068   0.157  -1.391  1.00  0.00           H  
HETATM   32  H   UNL     1       3.571  -0.588  -2.001  1.00  0.00           H  
HETATM   33  H   UNL     1       0.382   0.694  -0.377  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.923   2.011   1.039  1.00  0.00           H  
HETATM   35  H   UNL     1      -9.187  -0.148  -0.652  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.234  -1.714  -0.964  1.00  0.00           H  
HETATM   37  H   UNL     1       5.757  -2.270  -0.722  1.00  0.00           H  
HETATM   38  H   UNL     1       6.296  -2.014   0.955  1.00  0.00           H  
HETATM   39  H   UNL     1       4.900  -3.066   0.620  1.00  0.00           H  
HETATM   40  H   UNL     1       3.169  -3.279   0.544  1.00  0.00           H  
HETATM   41  H   UNL     1       0.735  -3.520   0.256  1.00  0.00           H  
HETATM   42  H   UNL     1       4.004   2.393  -1.512  1.00  0.00           H  
HETATM   43  H   UNL     1       1.590   0.778  -2.446  1.00  0.00           H  
HETATM   44  H   UNL     1       1.522   2.484  -1.940  1.00  0.00           H  
HETATM   45  H   UNL     1       2.470   2.018  -3.373  1.00  0.00           H  
HETATM   46  H   UNL     1       3.688   1.427   1.841  1.00  0.00           H  
HETATM   47  H   UNL     1       5.356   2.576  -0.433  1.00  0.00           H  
HETATM   48  H   UNL     1       4.104   3.502   0.430  1.00  0.00           H  
HETATM   49  H   UNL     1       5.529   2.896   1.309  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.686   2.284   1.824  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.128   2.161   1.397  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.330   1.806   0.571  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.643  -1.902  -1.422  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.337  -2.368  -0.647  1.00  0.00           H  
CONECT    1   14   30   31   32                                       
CONECT    2   18   18   13   33                                       
CONECT    3   28   28   21    4                                       
CONECT    4    3    7    7    5                                       
CONECT    5    4   22   22   34                                       
CONECT    6   23   23   22   35                                       
CONECT    7    4    4   23   36                                       
CONECT    8   24   29   29   16                                       
CONECT    9   24   37   38   39                                       
CONECT   10   11   24   13   13                                       
CONECT   11   12   12   10   40                                       
CONECT   12   11   11   18   41                                       
CONECT   13   10   10    2   25                                       
CONECT   14   25    1   15   42                                       
CONECT   15   14   43   44   45                                       
CONECT   16   17    8   25   46                                       
CONECT   17   16   47   48   49                                       
CONECT   18   12   26    2    2                                       
CONECT   19   26   27   27   28                                       
CONECT   20   27   21   21   50                                       
CONECT   21   20   20    3   51                                       
CONECT   22    5    5    6   52                                       
CONECT   23    7    6    6   53                                       
CONECT   24    9   10    8                                            
CONECT   25   16   13   14                                            
CONECT   26   18   19   54                                            
CONECT   27   19   19   20                                            
CONECT   28   19    3    3                                            
CONECT   29    8    8                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   26                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
