COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.034  -2.311  -1.526  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.491   0.281  -0.417  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.803   1.145   1.048  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.098   2.643  -0.303  1.00  0.00           C  
HETATM    5  C   UNL     1       3.299   0.556  -0.615  1.00  0.00           C  
HETATM    6  C   UNL     1       2.745   1.785  -0.821  1.00  0.00           C  
HETATM    7  C   UNL     1       1.459  -1.095  -1.009  1.00  0.00           C  
HETATM    8  C   UNL     1       2.799  -0.733  -1.151  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.499   0.072   0.522  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.099   2.430   0.636  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.791   1.564  -0.833  1.00  0.00           C  
HETATM   12  C   UNL     1       4.445   0.738   0.200  1.00  0.00           C  
HETATM   13  C   UNL     1       7.061  -2.331   1.560  1.00  0.00           C  
HETATM   14  C   UNL     1       7.570  -1.077   1.250  1.00  0.00           C  
HETATM   15  C   UNL     1       6.722  -0.075   0.807  1.00  0.00           C  
HETATM   16  C   UNL     1       5.359  -0.330   0.673  1.00  0.00           C  
HETATM   17  C   UNL     1       4.856  -1.592   0.987  1.00  0.00           C  
HETATM   18  C   UNL     1       5.708  -2.584   1.428  1.00  0.00           C  
HETATM   19  C   UNL     1       3.659  -1.618  -1.813  1.00  0.00           C  
HETATM   20  C   UNL     1       3.157  -2.806  -2.297  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.243  -1.804  -0.705  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.629  -2.452  -0.690  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.617  -1.527   0.024  1.00  0.00           C  
HETATM   24  C   UNL     1       3.254   4.136  -0.126  1.00  0.00           C  
HETATM   25  C   UNL     1       4.506   4.850   0.389  1.00  0.00           C  
HETATM   26  C   UNL     1       2.079   4.429   0.810  1.00  0.00           C  
HETATM   27  C   UNL     1       2.923   4.638  -1.533  1.00  0.00           C  
HETATM   28  N   UNL     1       1.883  -3.118  -2.145  1.00  0.00           N  
HETATM   29  N   UNL     1       3.497   2.692  -0.167  1.00  0.00           N  
HETATM   30  N   UNL     1       4.552   2.022   0.463  1.00  0.00           N  
HETATM   31  N   UNL     1      -0.297  -2.689  -1.388  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.944  -2.147   0.038  1.00  0.00           N  
HETATM   33  O   UNL     1      -7.391   3.906  -0.710  1.00  0.00           O  
HETATM   34  O   UNL     1       8.900  -0.832   1.382  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.520  -1.445   2.333  1.00  0.00           O  
HETATM   36  O   UNL     1      -7.281  -2.346   0.805  1.00  0.00           O  
HETATM   37  S   UNL     1      -6.119  -1.566   1.050  1.00  0.00           S  
HETATM   38  H   UNL     1      -8.030  -0.559  -0.829  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.026   0.978   1.779  1.00  0.00           H  
HETATM   40  H   UNL     1       1.861   1.994  -1.405  1.00  0.00           H  
HETATM   41  H   UNL     1       0.764  -0.440  -0.505  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.553   3.267   1.044  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.564   1.727  -1.570  1.00  0.00           H  
HETATM   44  H   UNL     1       7.724  -3.112   1.901  1.00  0.00           H  
HETATM   45  H   UNL     1       7.116   0.901   0.566  1.00  0.00           H  
HETATM   46  H   UNL     1       3.800  -1.794   0.884  1.00  0.00           H  
HETATM   47  H   UNL     1       5.318  -3.563   1.666  1.00  0.00           H  
HETATM   48  H   UNL     1       4.703  -1.372  -1.942  1.00  0.00           H  
HETATM   49  H   UNL     1       3.816  -3.492  -2.808  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.294  -0.850  -1.231  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.909  -1.636   0.319  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.963  -2.619  -1.714  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.579  -3.405  -0.163  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.283  -1.359   1.048  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.668  -0.574  -0.503  1.00  0.00           H  
HETATM   56  H   UNL     1       4.741   4.492   1.391  1.00  0.00           H  
HETATM   57  H   UNL     1       5.343   4.641  -0.278  1.00  0.00           H  
HETATM   58  H   UNL     1       4.325   5.924   0.420  1.00  0.00           H  
HETATM   59  H   UNL     1       1.187   3.920   0.443  1.00  0.00           H  
HETATM   60  H   UNL     1       2.315   4.071   1.812  1.00  0.00           H  
HETATM   61  H   UNL     1       1.898   5.503   0.840  1.00  0.00           H  
HETATM   62  H   UNL     1       2.742   5.712  -1.502  1.00  0.00           H  
HETATM   63  H   UNL     1       3.760   4.430  -2.199  1.00  0.00           H  
HETATM   64  H   UNL     1       2.031   4.130  -1.899  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.599  -3.540  -1.744  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.134  -2.899  -0.545  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.881   4.200  -1.478  1.00  0.00           H  
HETATM   68  H   UNL     1       9.415  -1.020   0.586  1.00  0.00           H  
CONECT    1   31    7    7   28                                       
CONECT    2    9    9   11   38                                       
CONECT    3    9   10   10   39                                       
CONECT    4   11   11   10   33                                       
CONECT    5   12    8    6    6                                       
CONECT    6    5    5   29   40                                       
CONECT    7    1    1    8   41                                       
CONECT    8    7    5   19   19                                       
CONECT    9   37    2    2    3                                       
CONECT   10    3    3    4   42                                       
CONECT   11    2    4    4   43                                       
CONECT   12   16   30   30    5                                       
CONECT   13   14   14   18   44                                       
CONECT   14   34   13   13   15                                       
CONECT   15   14   16   16   45                                       
CONECT   16   15   15   17   12                                       
CONECT   17   18   18   16   46                                       
CONECT   18   13   17   17   47                                       
CONECT   19    8    8   20   48                                       
CONECT   20   28   28   19   49                                       
CONECT   21   22   31   50   51                                       
CONECT   22   21   23   52   53                                       
CONECT   23   22   32   54   55                                       
CONECT   24   25   29   26   27                                       
CONECT   25   24   56   57   58                                       
CONECT   26   24   59   60   61                                       
CONECT   27   24   62   63   64                                       
CONECT   28    1   20   20                                            
CONECT   29   30   24    6                                            
CONECT   30   12   12   29                                            
CONECT   31   21    1   65                                            
CONECT   32   37   23   66                                            
CONECT   33    4   67                                                 
CONECT   34   14   68                                                 
CONECT   35   37   37                                                 
CONECT   36   37   37                                                 
CONECT   37   35   35   36   36                                       
CONECT   37   32    9                                                 
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   23                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   33                                                      
CONECT   68   34                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
