COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.294  -1.431  -1.299  1.00  0.00           C  
HETATM    2  S   UNL     1      -1.831   0.973  -0.107  1.00  0.00           S  
HETATM    3  C   UNL     1      -3.352   1.336   0.820  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.098   0.058   1.074  1.00  0.00           C  
HETATM    5  CA  UNL     1      -3.579  -1.147   1.060  1.00  0.00           C  
HETATM    6  N   UNL     1      -2.260  -1.491   0.794  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.198  -0.474   0.803  1.00  0.00           C  
HETATM    8  CA  UNL     1       0.052  -1.020   0.109  1.00  0.00           C  
HETATM    9  N   UNL     1       1.084   0.019   0.075  1.00  0.00           N  
HETATM   10  C   UNL     1       2.385  -0.326  -0.005  1.00  0.00           C  
HETATM   11  O   UNL     1       2.697  -1.493  -0.144  1.00  0.00           O  
HETATM   12  C   UNL     1       3.434   0.717   0.074  1.00  0.00           C  
HETATM   13  C   UNL     1       3.055   2.145   0.124  1.00  0.00           C  
HETATM   14  C   UNL     1       3.966   3.137   0.071  1.00  0.00           C  
HETATM   15  N   UNL     1       4.692   0.375   0.101  1.00  0.00           N  
HETATM   16  S   UNL     1       3.113   4.676   0.158  1.00  0.00           S  
HETATM   17  C   UNL     1       1.576   3.823   0.259  1.00  0.00           C  
HETATM   18  O   UNL     1       5.060  -0.982  -0.063  1.00  0.00           O  
HETATM   19  C   UNL     1       6.470  -1.212  -0.012  1.00  0.00           C  
HETATM   20  N   UNL     1       0.333   4.426   0.361  1.00  0.00           N  
HETATM   21  C   UNL     1       7.156  -0.420  -1.128  1.00  0.00           C  
HETATM   22  N   UNL     1       1.786   2.545   0.219  1.00  0.00           N  
HETATM   23  C   UNL     1       7.012  -0.757   1.344  1.00  0.00           C  
HETATM   24  C   UNL     1       6.746  -2.682  -0.197  1.00  0.00           C  
HETATM   25  O   UNL     1       5.830  -3.454  -0.355  1.00  0.00           O  
HETATM   26  O   UNL     1       8.010  -3.134  -0.185  1.00  0.00           O  
HETATM   27  C   UNL     1      -5.571   0.169   1.373  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.499  -2.261   1.359  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.889  -2.984   0.464  1.00  0.00           O  
HETATM   30  OXT UNL     1      -4.907  -2.476   2.625  1.00  0.00           O  
HETATM   31  N   UNL     1      -6.320   0.248   0.116  1.00  0.00           N1+
HETATM   32  C   UNL     1      -6.850  -0.850  -0.385  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.563  -0.814  -1.569  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.717   0.396  -2.228  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.146   1.529  -1.670  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.451   1.417  -0.481  1.00  0.00           C  
HETATM   37  O   UNL     1       0.265  -0.910  -2.235  1.00  0.00           O  
HETATM   38  OXT UNL     1      -1.219  -2.380  -1.513  1.00  0.00           O  
HETATM   39  H   UNL     1      -3.096   1.803   1.770  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.979   2.013   0.239  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.036  -2.415   0.600  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.962  -0.193   1.829  1.00  0.00           H  
HETATM   43  HA  UNL     1       0.424  -1.885   0.659  1.00  0.00           H  
HETATM   44  H   UNL     1       0.832   0.955   0.111  1.00  0.00           H  
HETATM   45  H   UNL     1       5.036   3.010  -0.009  1.00  0.00           H  
HETATM   46  H   UNL     1       0.264   5.393   0.381  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.467   3.881   0.412  1.00  0.00           H  
HETATM   48  H   UNL     1       6.956   0.643  -0.994  1.00  0.00           H  
HETATM   49  H   UNL     1       8.231  -0.595  -1.089  1.00  0.00           H  
HETATM   50  H   UNL     1       6.769  -0.744  -2.094  1.00  0.00           H  
HETATM   51  H   UNL     1       6.523  -1.321   2.138  1.00  0.00           H  
HETATM   52  H   UNL     1       8.087  -0.932   1.383  1.00  0.00           H  
HETATM   53  H   UNL     1       6.812   0.306   1.477  1.00  0.00           H  
HETATM   54  H   UNL     1       8.137  -4.084  -0.307  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.895  -0.707   1.934  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.756   1.067   1.963  1.00  0.00           H  
HETATM   57  HXT UNL     1      -5.509  -3.218   2.772  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.726  -1.788   0.134  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.994  -1.717  -1.975  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.269   0.454  -3.155  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.246   2.488  -2.157  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.006   2.295  -0.037  1.00  0.00           H  
HETATM   63  HXT UNL     1      -1.406  -2.610  -2.434  1.00  0.00           H  
CONECT    1    8   37   37   38                                       
CONECT    2    3    7                                                 
CONECT    3    2    4   39   40                                       
CONECT    4    3    5    5   27                                       
CONECT    5    4    4    6   28                                       
CONECT    6    5    7   41                                            
CONECT    7    2    6    8   42                                       
CONECT    8    1    7    9   43                                       
CONECT    9    8   10   44                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   15   15                                       
CONECT   13   12   14   14   22                                       
CONECT   14   13   13   16   45                                       
CONECT   15   12   12   18                                            
CONECT   16   14   17                                                 
CONECT   17   16   20   22   22                                       
CONECT   18   15   19                                                 
CONECT   19   18   21   23   24                                       
CONECT   20   17   46   47                                            
CONECT   21   19   48   49   50                                       
CONECT   22   13   17   17                                            
CONECT   23   19   51   52   53                                       
CONECT   24   19   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   54                                                 
CONECT   27    4   31   55   56                                       
CONECT   28    5   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   57                                                 
CONECT   31   27   32   32   36                                       
CONECT   32   31   31   33   58                                       
CONECT   33   32   34   34   59                                       
CONECT   34   33   33   35   60                                       
CONECT   35   34   36   36   61                                       
CONECT   36   31   35   35   62                                       
CONECT   37    1    1                                                 
CONECT   38    1   63                                                 
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   14                                                      
CONECT   46   20                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   23                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   30                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   34                                                      
CONECT   61   35                                                      
CONECT   62   36                                                      
CONECT   63   38                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
