REMARK  Name = BDB032599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.131  -2.445  -1.198  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -1.430  -3.393  -0.985  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.014  -1.970  -0.537  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1        0.574  -2.738   0.381  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1        1.639  -1.998   0.862  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1        1.692  -0.794   0.222  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1        0.655  -0.740  -0.682  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1        2.770   0.110   0.610  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.909   1.360  -0.013  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        3.937   2.235   0.352  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        4.841   1.872   1.347  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        4.720   0.636   1.976  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        3.692  -0.238   1.610  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  15
ATOM     14  O   LIG    1       -3.217  -2.435  -2.577  0.00  0.00    -0.150 OA
ATOM     15  S   LIG    1       -2.170  -1.543  -2.127  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1       -1.403  -0.747  -3.061  0.00  0.00    -0.150 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -2.904  -0.447  -0.937  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1       -2.649   0.923  -1.002  0.00  0.00    +0.067 A 
ATOM     19  C   LIG    1       -3.236   1.756  -0.059  0.00  0.00    +0.125 A 
ATOM     20  F   LIG    1       -2.992   3.072  -0.103  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1       -4.072   1.249   0.932  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1       -4.336  -0.121   0.982  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.754  -0.974   0.043  0.00  0.00    +0.029 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4