COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.768   1.624  -0.283  1.00  0.00           C  
HETATM    2  C   UNL     1       1.276   0.319  -0.308  1.00  0.00           C  
HETATM    3  N   UNL     1       0.434  -0.700  -0.491  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.863  -0.487  -0.647  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.378   0.732  -0.630  1.00  0.00           N  
HETATM    6  C   UNL     1      -0.603   1.801  -0.447  1.00  0.00           C  
HETATM    7  C   UNL     1       2.720   0.075  -0.135  1.00  0.00           C  
HETATM    8  C   UNL     1       3.328  -1.130  -0.145  1.00  0.00           C  
HETATM    9  N   UNL     1       4.629  -1.081   0.031  1.00  0.00           N  
HETATM   10  C   UNL     1       5.161   0.095   0.190  1.00  0.00           C  
HETATM   11  S   UNL     1       3.956   1.305   0.114  1.00  0.00           S  
HETATM   12  N   UNL     1       6.508   0.333   0.387  1.00  0.00           N  
HETATM   13  C   UNL     1       7.451  -0.788   0.428  1.00  0.00           C  
HETATM   14  C   UNL     1       8.845  -0.295   0.034  1.00  0.00           C  
HETATM   15  C   UNL     1       7.496  -1.365   1.844  1.00  0.00           C  
HETATM   16  N   UNL     1      -1.705  -1.570  -0.835  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.291   5.703  -0.392  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.191   3.163  -0.428  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.565   3.333  -0.592  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.107   4.602  -0.573  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.927   5.540  -0.229  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.373   4.277  -0.246  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.456   2.134  -0.789  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.752  -6.263  -1.544  1.00  0.00           C  
HETATM   25  N   UNL     1      -1.740  -5.294  -1.101  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.290  -3.932  -1.078  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.156  -2.928  -0.858  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.195  -5.665   0.212  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.726   1.507   0.507  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.506   0.411   0.576  1.00  0.00           C  
HETATM   31  N   UNL     1      -4.755  -0.166   1.769  1.00  0.00           N  
HETATM   32  O   UNL     1      -4.986  -0.059  -0.438  1.00  0.00           O  
HETATM   33  C   UNL     1      -5.603  -1.358   1.844  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.723  -1.807   3.301  1.00  0.00           C  
HETATM   35  H   UNL     1       1.423   2.470  -0.137  1.00  0.00           H  
HETATM   36  H   UNL     1       2.791  -2.057  -0.285  1.00  0.00           H  
HETATM   37  H   UNL     1       6.829   1.241   0.498  1.00  0.00           H  
HETATM   38  H   UNL     1       7.128  -1.560  -0.270  1.00  0.00           H  
HETATM   39  H   UNL     1       9.168   0.477   0.731  1.00  0.00           H  
HETATM   40  H   UNL     1       9.547  -1.129   0.064  1.00  0.00           H  
HETATM   41  H   UNL     1       8.813   0.116  -0.975  1.00  0.00           H  
HETATM   42  H   UNL     1       7.819  -0.592   2.542  1.00  0.00           H  
HETATM   43  H   UNL     1       6.503  -1.716   2.125  1.00  0.00           H  
HETATM   44  H   UNL     1       8.198  -2.199   1.874  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.657  -1.430  -0.951  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.719   6.695  -0.382  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.172   4.735  -0.700  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.294   6.404  -0.088  1.00  0.00           H  
HETATM   49  H   UNL     1       0.692   4.150  -0.118  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.395   2.450  -1.243  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.960   1.416  -1.443  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.087  -6.005  -2.548  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.318  -7.263  -1.552  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.600  -6.240  -0.860  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.781  -3.723  -2.028  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.014  -3.846  -0.268  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.432  -3.014  -1.668  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.665  -3.138   0.092  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.732  -6.649   0.148  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.449  -4.931   0.516  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.001  -5.688   0.946  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.343   1.882   1.316  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.372   0.209   2.578  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.593  -1.125   1.453  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.158  -2.158   1.252  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.354  -2.694   3.357  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.733  -2.041   3.692  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.168  -1.007   3.893  1.00  0.00           H  
CONECT    1    6    6    2   35                                       
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   16                                       
CONECT    5    4    4    6                                            
CONECT    6    1    1    5   18                                       
CONECT    7    2    8    8   11                                       
CONECT    8    7    7    9   36                                       
CONECT    9    8   10   10                                            
CONECT   10    9    9   11   12                                       
CONECT   11    7   10                                                 
CONECT   12   10   13   37                                            
CONECT   13   12   14   15   38                                       
CONECT   14   13   39   40   41                                       
CONECT   15   13   42   43   44                                       
CONECT   16    4   27   45                                            
CONECT   17   20   20   21   46                                       
CONECT   18    6   19   19   22                                       
CONECT   19   18   18   20   23                                       
CONECT   20   17   17   19   47                                       
CONECT   21   17   22   22   48                                       
CONECT   22   18   21   21   49                                       
CONECT   23   19   29   50   51                                       
CONECT   24   25   52   53   54                                       
CONECT   25   24   28   26                                            
CONECT   26   25   27   55   56                                       
CONECT   27   16   26   57   58                                       
CONECT   28   25   59   60   61                                       
CONECT   29   23   30   62                                            
CONECT   30   29   31   32   32                                       
CONECT   31   30   33   63                                            
CONECT   32   30   30                                                 
CONECT   33   31   34   64   65                                       
CONECT   34   33   66   67   68                                       
CONECT   35    1                                                      
CONECT   36    8                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   28                                                      
CONECT   61   28                                                      
CONECT   62   29                                                      
CONECT   63   31                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   34                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
