REMARK  Name = BDB000791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.713   0.096   0.053  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -1.364  -0.641   1.181  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -0.016  -0.891   1.476  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        1.020  -0.415   0.658  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1        0.655   0.323  -0.470  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -0.691   0.576  -0.770  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -5.435   0.542  -0.364  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -4.200   0.036   0.340  0.00  0.00    +0.214 C 
ATOM      9  N   LIG    1       -3.039   0.394  -0.320  0.00  0.00    -0.286 N 
ATOM     10  H   LIG    1       -3.145   0.939  -1.166  0.00  0.00    +0.155 HD
ATOM     11  O   LIG    1       -4.291  -0.593   1.388  0.00  0.00    -0.276 OA
ENDBRANCH   1   9
BRANCH   4  12
ATOM     12  N   LIG    1        2.347  -0.708   1.021  0.00  0.00    -0.294 N 
ATOM     13  H   LIG    1        2.431  -1.251   1.871  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.506  -0.370   0.409  0.00  0.00    +0.163 A 
ATOM     15  S   LIG    1        4.997  -0.897   1.131  0.00  0.00    -0.045 S 
ATOM     16  C   LIG    1        5.858  -0.143  -0.115  0.00  0.00    +0.076 A 
ATOM     17 BR   LIG    1        7.756  -0.137  -0.258  0.00  0.00    -0.041 Br
ATOM     18  C   LIG    1        5.007   0.459  -1.003  0.00  0.00    +0.136 A 
ATOM     19  N   LIG    1        3.665   0.326  -0.698  0.00  0.00    -0.232 NA
ENDBRANCH  12  14
ENDBRANCH   4  12
TORSDOF 3