REMARK  Name = BDB049710
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.967  -0.341  -0.717  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1       -1.493  -0.919   0.419  0.00  0.00    +0.260 A 
ATOM      3  O   LIG    1       -1.143  -1.963   0.945  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -2.580  -0.080   0.959  0.00  0.00    +0.099 A 
ATOM      5  C   LIG    1       -2.729   1.024   0.226  0.00  0.00    +0.100 A 
ATOM      6 CL   LIG    1       -3.888   2.230   0.568  0.00  0.00    -0.074 Cl
ATOM      7  S   LIG    1       -1.654   1.160  -1.119  0.00  0.00    +0.004 S 
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1        0.199  -0.864  -1.401  0.00  0.00    +0.253 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.537  -0.415  -0.828  0.00  0.00    +0.328 C 
ATOM     10  O   LIG    1        2.612  -0.734  -1.327  0.00  0.00    -0.249 OA
BRANCH   9  12
ATOM     11  C   LIG    1        2.645   0.771   0.863  0.00  0.00    +0.280 C 
ATOM     12  O   LIG    1        1.406   0.356   0.287  0.00  0.00    -0.467 OA
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   1   8
TORSDOF 3