REMARK  Name = BDB023363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.094  -0.271  -0.985  0.00  0.00    +0.298 C 
ATOM      2  N   LIG    1       -0.548   0.289   0.213  0.00  0.00    -0.179 N 
ATOM      3  H   LIG    1        0.122   0.636   0.894  0.00  0.00    +0.177 HD
ATOM      4  O   LIG    1       -0.837  -0.718  -1.845  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        5.771   0.153  -0.042  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        4.481   0.387   0.469  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.402   0.023  -0.334  0.00  0.00    +0.136 A 
ATOM      8  C   LIG    1        3.522  -0.547  -1.594  0.00  0.00    +0.021 A 
ATOM      9  C   LIG    1        2.197  -0.755  -2.053  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1        1.349  -0.302  -1.059  0.00  0.00    +0.192 A 
ATOM     11  C   LIG    1        4.809  -0.775  -2.104  0.00  0.00    +0.012 A 
ATOM     12  O   LIG    1        2.089   0.173  -0.005  0.00  0.00    -0.450 OA
ATOM     13  C   LIG    1        5.918  -0.418  -1.318  0.00  0.00    +0.009 A 
BRANCH   5  15
ATOM     14  C   LIG    1        7.057   0.198   2.048  0.00  0.00    +0.012 C 
ATOM     15  C   LIG    1        6.962   0.533   0.750  0.00  0.00    -0.050 C 
ATOM     16  C   LIG    1        8.056   1.291   0.050  0.00  0.00    +0.044 C 
ENDBRANCH   5  15
ENDBRANCH   1  10
BRANCH   2  17
ATOM     17  S   LIG    1       -2.116   0.741   0.499  0.00  0.00    +0.075 S 
ATOM     18  O   LIG    1       -2.096   1.350   1.813  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -2.557   1.471  -0.668  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.023  -0.782   0.662  0.00  0.00    +0.116 A 
ATOM     21  C   LIG    1       -4.413  -0.818   0.436  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1       -5.063  -2.064   0.543  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -4.364  -3.226   0.878  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -2.998  -3.167   1.126  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -2.327  -1.950   1.024  0.00  0.00    +0.029 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -5.233   0.365   0.143  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -5.750   0.580  -1.144  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -6.546   1.694  -1.418  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.839   2.607  -0.407  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.337   2.407   0.877  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -5.542   1.292   1.151  0.00  0.00    +0.008 A 
ENDBRANCH  21  26
ENDBRANCH  17  20
ENDBRANCH   2  17
TORSDOF 5