COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.643   1.812   0.633  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.585   0.652  -0.275  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.571   0.910  -1.307  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.990   2.314  -1.037  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.106   3.000  -0.204  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.338  -0.462  -0.175  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.261  -0.644   1.002  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.272  -1.317  -1.032  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.479  -0.125  -1.222  1.00  0.00           C  
HETATM   10  N   UNL     1       0.669  -0.102  -1.980  1.00  0.00           N  
HETATM   11  C   UNL     1       1.462  -1.278  -1.587  1.00  0.00           C  
HETATM   12  C   UNL     1       2.791  -0.850  -1.018  1.00  0.00           C  
HETATM   13  C   UNL     1       3.462  -1.679  -0.137  1.00  0.00           C  
HETATM   14  C   UNL     1       4.678  -1.294   0.388  1.00  0.00           C  
HETATM   15  C   UNL     1       5.232  -0.064   0.028  1.00  0.00           C  
HETATM   16  C   UNL     1       4.550   0.767  -0.861  1.00  0.00           C  
HETATM   17  C   UNL     1       3.337   0.368  -1.383  1.00  0.00           C  
HETATM   18  C   UNL     1       6.535   0.355   0.586  1.00  0.00           C  
HETATM   19  O   UNL     1      -3.128   3.528  -1.053  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.500  -1.134  -0.430  1.00  0.00           N  
HETATM   21  O   UNL     1       0.668  -1.921  -0.578  1.00  0.00           O  
HETATM   22  C   UNL     1       1.666  -2.210  -2.782  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.645  -0.174   0.633  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.311  -2.124   1.387  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.931  -2.572   1.872  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.335  -2.326   2.506  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.352   0.814   1.232  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.567   0.850   0.509  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.478  -0.072  -0.406  1.00  0.00           N  
HETATM   30  O   UNL     1      -6.415  -0.647  -0.356  1.00  0.00           O  
HETATM   31  C   UNL     1      -8.735   1.771   0.752  1.00  0.00           C  
HETATM   32  S   UNL     1       6.903   1.925   1.297  1.00  0.00           S  
HETATM   33  C   UNL     1       8.509   1.424   1.598  1.00  0.00           C  
HETATM   34  N   UNL     1       8.685   0.211   1.190  1.00  0.00           N  
HETATM   35  C   UNL     1       7.654  -0.398   0.649  1.00  0.00           C  
HETATM   36  C   UNL     1       7.718  -1.812   0.131  1.00  0.00           C  
HETATM   37  H   UNL     1      -3.670   2.000   0.944  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.009   1.644   1.503  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.031   0.883  -2.294  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.068   2.246  -0.460  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.822   2.848  -1.972  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.693   3.779   0.437  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.893  -0.061   1.847  1.00  0.00           H  
HETATM   44  H   UNL     1       3.032  -2.630   0.141  1.00  0.00           H  
HETATM   45  H   UNL     1       5.201  -1.942   1.076  1.00  0.00           H  
HETATM   46  H   UNL     1       4.973   1.720  -1.144  1.00  0.00           H  
HETATM   47  H   UNL     1       2.808   1.010  -2.071  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.847   3.966  -0.577  1.00  0.00           H  
HETATM   49  H   UNL     1       2.203  -1.680  -3.569  1.00  0.00           H  
HETATM   50  H   UNL     1       2.244  -3.080  -2.470  1.00  0.00           H  
HETATM   51  H   UNL     1       0.697  -2.535  -3.159  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.601  -2.716   0.519  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.678  -2.039   2.789  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.945  -3.644   2.068  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.188  -2.351   1.107  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.319  -2.007   2.160  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.371  -3.380   2.780  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.046  -1.734   3.374  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.057   1.431   2.067  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.610   2.679   0.161  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.658   1.272   0.460  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.780   2.030   1.809  1.00  0.00           H  
HETATM   63  H   UNL     1       0.909   0.561  -2.646  1.00  0.00           H  
HETATM   64  H   UNL     1       9.269   2.034   2.063  1.00  0.00           H  
HETATM   65  H   UNL     1       7.366  -2.497   0.903  1.00  0.00           H  
HETATM   66  H   UNL     1       7.087  -1.905  -0.752  1.00  0.00           H  
HETATM   67  H   UNL     1       8.747  -2.057  -0.130  1.00  0.00           H  
CONECT    1    5    2   37   38                                       
CONECT    2    3    1    6                                            
CONECT    3    4    9    2   39                                       
CONECT    4    3    5   40   41                                       
CONECT    5    4   19    1   42                                       
CONECT    6    2    8    8    7                                       
CONECT    7    6   24   23   43                                       
CONECT    8    6    6                                                 
CONECT    9   10   20   20    3                                       
CONECT   10   11    9   63                                            
CONECT   11   12   22   10   21                                       
CONECT   12   13   13   17   11                                       
CONECT   13   14   12   12   44                                       
CONECT   14   15   15   13   45                                       
CONECT   15   18   14   14   16                                       
CONECT   16   15   17   17   46                                       
CONECT   17   16   16   12   47                                       
CONECT   18   35   35   32   15                                       
CONECT   19    5   48                                                 
CONECT   20   21    9    9                                            
CONECT   21   11   20                                                 
CONECT   22   11   49   50   51                                       
CONECT   23    7   27   27   30                                       
CONECT   24   26    7   25   52                                       
CONECT   25   24   53   54   55                                       
CONECT   26   24   56   57   58                                       
CONECT   27   23   23   28   59                                       
CONECT   28   27   29   29   31                                       
CONECT   29   30   28   28                                            
CONECT   30   23   29                                                 
CONECT   31   28   60   61   62                                       
CONECT   32   33   18                                                 
CONECT   33   34   34   32   64                                       
CONECT   34   33   33   35                                            
CONECT   35   34   36   18   18                                       
CONECT   36   35   65   66   67                                       
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   10                                                      
CONECT   64   33                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
