COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.376  -3.873  -0.481  1.00  0.00           C  
HETATM    2  N   UNL     1       0.985   1.872   0.573  1.00  0.00           N  
HETATM    3  C   UNL     1       5.847  -1.647  -0.412  1.00  0.00           C  
HETATM    4  C   UNL     1       5.097  -0.490  -0.398  1.00  0.00           C  
HETATM    5  C   UNL     1       3.789  -0.512   0.091  1.00  0.00           C  
HETATM    6  C   UNL     1       2.985   0.723   0.106  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.164  -1.064  -0.574  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.024  -1.922  -2.663  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.185  -1.333  -1.834  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.790  -0.822  -0.617  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.448   0.885  -0.691  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.926   1.040  -0.710  1.00  0.00           C  
HETATM   13  C   UNL     1       1.584   3.086   0.606  1.00  0.00           C  
HETATM   14  C   UNL     1       3.589   4.491   0.073  1.00  0.00           C  
HETATM   15  C   UNL     1       3.392   4.672  -1.403  1.00  0.00           C  
HETATM   16  C   UNL     1       3.133   3.699  -2.215  1.00  0.00           C  
HETATM   17  C   UNL     1       2.972   2.271  -1.800  1.00  0.00           C  
HETATM   18  C   UNL     1       4.001  -2.865   0.544  1.00  0.00           C  
HETATM   19  O   UNL     1       6.046  -3.974   0.034  1.00  0.00           O  
HETATM   20  C   UNL     1       5.305  -2.836   0.055  1.00  0.00           C  
HETATM   21  N   UNL     1       1.769   0.711   0.560  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.476   1.772   0.557  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.949   0.989   1.785  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.470   0.836   1.732  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.850   0.128   0.502  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.206  -0.142   0.484  1.00  0.00           C  
HETATM   27  N   UNL     1      -4.978   0.230   1.493  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.281  -0.023   1.489  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.048   0.387   2.568  1.00  0.00           N  
HETATM   30  N   UNL     1      -6.867  -0.656   0.491  1.00  0.00           N  
HETATM   31  S   UNL     1      -6.660  -1.911  -2.032  1.00  0.00           S  
HETATM   32  O   UNL     1       0.928   4.103   0.689  1.00  0.00           O  
HETATM   33  C   UNL     1       3.086   3.136   0.535  1.00  0.00           C  
HETATM   34  C   UNL     1       3.569   2.026  -0.408  1.00  0.00           C  
HETATM   35  C   UNL     1       3.244  -1.708   0.566  1.00  0.00           C  
HETATM   36  O   UNL     1       3.472  -4.032   1.001  1.00  0.00           O  
HETATM   37  C   UNL     1       2.129  -3.989   1.489  1.00  0.00           C  
HETATM   38  H   UNL     1       7.340  -3.528  -1.515  1.00  0.00           H  
HETATM   39  H   UNL     1       7.945  -3.164   0.119  1.00  0.00           H  
HETATM   40  H   UNL     1       7.856  -4.851  -0.441  1.00  0.00           H  
HETATM   41  H   UNL     1       6.859  -1.629  -0.790  1.00  0.00           H  
HETATM   42  H   UNL     1       5.521   0.433  -0.766  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.739  -2.355  -3.610  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.130  -1.238  -2.043  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.913   1.871  -0.669  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.770   0.351  -1.585  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.460   0.055  -0.745  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.629   1.614  -1.587  1.00  0.00           H  
HETATM   49  H   UNL     1       4.651   4.576   0.304  1.00  0.00           H  
HETATM   50  H   UNL     1       3.046   5.274   0.603  1.00  0.00           H  
HETATM   51  H   UNL     1       3.472   5.669  -1.809  1.00  0.00           H  
HETATM   52  H   UNL     1       3.025   3.934  -3.264  1.00  0.00           H  
HETATM   53  H   UNL     1       1.911   2.022  -1.782  1.00  0.00           H  
HETATM   54  H   UNL     1       3.477   1.630  -2.522  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.910   2.772   0.573  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.484   0.003   1.789  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.668   1.527   2.691  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.809   0.266   2.597  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.935   1.821   1.742  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.631   0.850   3.311  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.002   0.209   2.580  1.00  0.00           H  
HETATM   62  H   UNL     1       3.489   2.933   1.528  1.00  0.00           H  
HETATM   63  H   UNL     1       4.657   1.984  -0.438  1.00  0.00           H  
HETATM   64  H   UNL     1       2.233  -1.729   0.946  1.00  0.00           H  
HETATM   65  H   UNL     1       2.069  -3.293   2.325  1.00  0.00           H  
HETATM   66  H   UNL     1       1.464  -3.657   0.692  1.00  0.00           H  
HETATM   67  H   UNL     1       1.831  -4.983   1.821  1.00  0.00           H  
CONECT    1   19   38   39   40                                       
CONECT    2   22   13   21                                            
CONECT    3    4    4   20   41                                       
CONECT    4    5    3    3   42                                       
CONECT    5    6   35   35    4                                       
CONECT    6   21   21   34    5                                       
CONECT    7   10   10   30   31                                       
CONECT    8    9    9   31   43                                       
CONECT    9   10    8    8   44                                       
CONECT   10   26    7    7    9                                       
CONECT   11   25   12   45   46                                       
CONECT   12   11   22   47   48                                       
CONECT   13   32   32    2   33                                       
CONECT   14   33   15   49   50                                       
CONECT   15   14   16   16   51                                       
CONECT   16   15   15   17   52                                       
CONECT   17   34   16   53   54                                       
CONECT   18   35   36   20   20                                       
CONECT   19   20    1                                                 
CONECT   20   18   18    3   19                                       
CONECT   21    2    6    6                                            
CONECT   22   23   12    2   55                                       
CONECT   23   24   22   56   57                                       
CONECT   24   25   23   58   59                                       
CONECT   25   24   11   26                                            
CONECT   26   25   27   27   10                                       
CONECT   27   26   26   28                                            
CONECT   28   27   29   30   30                                       
CONECT   29   28   60   61                                            
CONECT   30   28   28    7                                            
CONECT   31    7    8                                                 
CONECT   32   13   13                                                 
CONECT   33   13   14   34   62                                       
CONECT   34   33    6   17   63                                       
CONECT   35    5    5   18   64                                       
CONECT   36   37   18                                                 
CONECT   37   36   65   66   67                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    3                                                      
CONECT   42    4                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
