REMARK  Name = BDB049724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.593  -0.085   0.897  0.00  0.00    -0.222 N 
ATOM      2  S   LIG    1       -2.469   1.322   1.076  0.00  0.00    +0.092 S 
ATOM      3  O   LIG    1       -1.838   2.504   0.109  0.00  0.00    -0.136 OA
ATOM      4  C   LIG    1       -3.821   0.574   0.246  0.00  0.00    +0.115 C 
ATOM      5 CL   LIG    1       -5.232   1.475  -0.036  0.00  0.00    -0.073 Cl
ATOM      6  C   LIG    1       -3.649  -0.704  -0.063  0.00  0.00    +0.098 C 
ATOM      7  C   LIG    1       -2.293  -1.115   0.309  0.00  0.00    +0.252 C 
ATOM      8  O   LIG    1       -1.873  -2.236   0.065  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1       -0.162  -0.170   1.127  0.00  0.00    +0.134 C 
BRANCH   9  10
ATOM     10  C   LIG    1        0.647   0.074  -0.142  0.00  0.00    +0.140 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.119  -0.025   0.150  0.00  0.00    +0.308 C 
ATOM     12  O   LIG    1        2.607  -0.189   1.260  0.00  0.00    -0.251 OA
BRANCH  11  14
ATOM     13  C   LIG    1        4.242   0.028  -0.837  0.00  0.00    +0.280 C 
ATOM     14  O   LIG    1        2.826   0.102  -1.007  0.00  0.00    -0.468 OA
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   1   9
TORSDOF 4