REMARK  Name = BDB000783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.545  -0.154  -0.036  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1       -1.574   0.808  -0.298  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -0.216   0.456  -0.332  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        0.200  -0.862  -0.114  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -0.790  -1.819   0.152  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -2.145  -1.470   0.188  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.347   1.387  -0.180  0.00  0.00    +0.277 C 
ATOM      8  O   LIG    1       -3.894   0.055   0.026  0.00  0.00    -0.495 OA
ENDBRANCH   1   8
BRANCH   4   9
ATOM      9  N   LIG    1        1.543  -1.279  -0.095  0.00  0.00    -0.294 N 
ATOM     10  H   LIG    1        1.674  -2.194  -0.513  0.00  0.00    +0.154 HD
BRANCH   9  11
ATOM     11  C   LIG    1        2.688  -0.573   0.051  0.00  0.00    +0.163 A 
ATOM     12  S   LIG    1        2.855   0.877   0.986  0.00  0.00    -0.045 S 
ATOM     13  C   LIG    1        4.509   0.911   0.632  0.00  0.00    +0.076 A 
ATOM     14 BR   LIG    1        5.710   2.260   1.232  0.00  0.00    -0.041 Br
ATOM     15  C   LIG    1        4.866  -0.167  -0.133  0.00  0.00    +0.136 A 
ATOM     16  N   LIG    1        3.825  -1.022  -0.447  0.00  0.00    -0.232 NA
ENDBRANCH   9  11
ENDBRANCH   4   9
TORSDOF 3