REMARK  Name = BDB029726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.201  -0.202   0.333  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -5.021   0.098   0.264  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1       -4.496   1.032  -0.566  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -5.083   1.657  -1.095  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -3.209   1.325  -0.248  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -2.621   2.344  -0.565  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.659   0.177   0.569  0.00  0.00    +0.073 C 
ATOM      8  C   LIG    1       -1.889  -0.781  -0.340  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -0.500  -0.370  -0.225  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1        0.479  -0.998  -0.971  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1        0.252  -1.957  -1.703  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -0.318   0.638   0.809  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -1.620   0.607   1.602  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -3.932  -0.437   1.152  0.00  0.00    +0.114 C 
ENDROOT
BRANCH  10  15
ATOM     15  C   LIG    1        1.867  -0.501  -0.868  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        2.865  -1.397  -0.467  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1        4.196  -0.946  -0.376  0.00  0.00    +0.079 A 
ATOM     18  C   LIG    1        4.486   0.381  -0.709  0.00  0.00    +0.039 A 
ATOM     19  S   LIG    1        6.177   0.652  -0.510  0.00  0.00    -0.075 S 
ATOM     20  C   LIG    1        6.370  -0.973  -0.012  0.00  0.00    +0.157 A 
ATOM     21  C   LIG    1        3.492   1.278  -1.136  0.00  0.00    +0.018 A 
ATOM     22  N   LIG    1        5.282  -1.707   0.026  0.00  0.00    -0.247 NA
ATOM     23  C   LIG    1        2.176   0.815  -1.216  0.00  0.00    +0.014 A 
ENDBRANCH  10  15
TORSDOF 1