REMARK  Name = BDB000810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.529  -0.030  -0.091  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.342  -0.729   0.173  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -0.099  -0.074   0.204  0.00  0.00    +0.034 A 
ATOM      4  C   LIG    1       -0.080   1.303  -0.047  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -1.260   2.009  -0.310  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1       -2.484   1.345  -0.334  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1       -3.920  -1.982   0.111  0.00  0.00    -0.245 OA
ATOM      8  C   LIG    1       -3.801  -0.790  -0.105  0.00  0.00    +0.337 C 
BRANCH   8   9
ATOM      9  O   LIG    1       -4.867  -0.022  -0.389  0.00  0.00    -0.477 OA
ATOM     10  H   LIG    1       -5.621  -0.649  -0.365  0.00  0.00    +0.295 HD
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  11
ATOM     11  N   LIG    1        1.050  -0.853   0.433  0.00  0.00    -0.294 N 
ATOM     12  H   LIG    1        0.900  -1.588   1.118  0.00  0.00    +0.154 HD
BRANCH  11  13
ATOM     13  C   LIG    1        2.354  -0.616   0.162  0.00  0.00    +0.163 A 
ATOM     14  S   LIG    1        2.942   0.335  -1.163  0.00  0.00    -0.045 S 
ATOM     15  C   LIG    1        4.532  -0.026  -0.712  0.00  0.00    +0.076 A 
ATOM     16 BR   LIG    1        6.079   0.625  -1.609  0.00  0.00    -0.041 Br
ATOM     17  C   LIG    1        4.553  -0.856   0.377  0.00  0.00    +0.136 A 
ATOM     18  N   LIG    1        3.305  -1.204   0.861  0.00  0.00    -0.232 NA
ENDBRANCH  11  13
ENDBRANCH   3  11
TORSDOF 4