REMARK  Name = BDB064252
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.469  -1.773   0.358  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1       -0.610  -0.916   0.401  0.00  0.00    -0.297 N 
ATOM      3  H   LIG    1       -0.467   0.033   0.078  0.00  0.00    +0.150 HD
ATOM      4  O   LIG    1        0.407  -2.969   0.606  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      5  C   LIG    1        6.640   1.611  -1.341  0.00  0.00    +0.067 C 
ATOM      6  C   LIG    1        5.375   0.922  -0.998  0.00  0.00    +0.058 A 
ATOM      7  N   LIG    1        5.178  -0.398  -1.375  0.00  0.00    -0.227 NA
ATOM      8  C   LIG    1        3.991  -0.672  -0.913  0.00  0.00    +0.178 A 
ATOM      9  N   LIG    1        3.400   0.373  -0.273  0.00  0.00    -0.299 N 
ATOM     10  C   LIG    1        2.141   0.137   0.225  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1        1.746  -1.123  -0.042  0.00  0.00    +0.094 A 
ATOM     12  S   LIG    1        2.963  -2.069  -0.918  0.00  0.00    -0.045 S 
ATOM     13  C   LIG    1        4.274   1.416  -0.308  0.00  0.00    +0.116 A 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  C   LIG    1       -2.026  -1.301   0.747  0.00  0.00    +0.106 C 
ATOM     15  C   LIG    1       -2.565  -2.578   0.029  0.00  0.00    +0.192 C 
ATOM     16  O   LIG    1       -2.987  -3.159   1.288  0.00  0.00    -0.375 OA
ATOM     17  C   LIG    1       -2.184  -2.197   2.016  0.00  0.00    +0.192 C 
BRANCH  14  18
ATOM     18  C   LIG    1       -2.961   0.024   0.673  0.00  0.00    -0.020 A 
ATOM     19  C   LIG    1       -3.146   0.871   1.787  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.926   2.031   1.720  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.537   2.383   0.523  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -5.491   3.810   0.432  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -4.368   1.588  -0.604  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -3.587   0.430  -0.526  0.00  0.00    +0.007 A 
ENDBRANCH  14  18
ENDBRANCH   2  14
TORSDOF 3