REMARK  Name = BDB000816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.535  -0.321   0.076  0.00  0.00    +0.141 A 
ATOM      2  C   LIG    1       -0.241   0.231  -0.107  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1       -0.140   1.538  -0.598  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -1.283   2.283  -0.900  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1       -2.546   1.731  -0.716  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.675   0.430  -0.229  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.823  -2.210   0.763  0.00  0.00    +0.277 C 
ATOM      8  O   LIG    1       -1.549  -1.611   0.562  0.00  0.00    -0.493 OA
ENDBRANCH   1   8
BRANCH   2   9
ATOM      9  N   LIG    1        0.871  -0.576   0.218  0.00  0.00    -0.291 N 
ATOM     10  H   LIG    1        0.577  -1.488   0.556  0.00  0.00    +0.154 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.194  -0.318   0.146  0.00  0.00    +0.163 A 
ATOM     12  S   LIG    1        3.301  -1.564   0.636  0.00  0.00    -0.045 S 
ATOM     13  C   LIG    1        4.600  -0.541   0.275  0.00  0.00    +0.076 A 
ATOM     14 BR   LIG    1        6.432  -1.014   0.488  0.00  0.00    -0.041 Br
ATOM     15  C   LIG    1        4.156   0.668  -0.189  0.00  0.00    +0.136 A 
ATOM     16  N   LIG    1        2.781   0.790  -0.261  0.00  0.00    -0.232 NA
ENDBRANCH   9  11
ENDBRANCH   2   9
TORSDOF 3