REMARK  Name = BDB049719
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.747  -0.518  -0.695  0.00  0.00    -0.279 N 
ATOM      2  C   LIG    1        2.576  -0.831   0.364  0.00  0.00    +0.258 A 
ATOM      3  O   LIG    1        2.506  -1.795   1.110  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        3.625   0.202   0.497  0.00  0.00    +0.079 A 
ATOM      5  C   LIG    1        3.501   1.143  -0.444  0.00  0.00    +0.069 A 
ATOM      6  S   LIG    1        2.177   0.900  -1.528  0.00  0.00    -0.017 S 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.629  -1.340  -1.111  0.00  0.00    +0.133 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -0.583  -1.232  -0.181  0.00  0.00    +0.022 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -1.242   0.150  -0.215  0.00  0.00    +0.001 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -3.162   1.553   0.620  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1       -2.506   0.182   0.646  0.00  0.00    -0.003 C 
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
TORSDOF 4