REMARK  Name = BDB049706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.309   0.042   0.180  0.00  0.00    +0.093 A 
ATOM      2  C   LIG    1        1.146  -0.476  -0.823  0.00  0.00    +0.166 A 
ATOM      3  F   LIG    1        0.632  -1.186  -1.840  0.00  0.00    -0.202 F 
ATOM      4  C   LIG    1        2.537  -0.366  -0.732  0.00  0.00    +0.078 A 
ATOM      5 CL   LIG    1        3.552  -1.020  -1.962  0.00  0.00    -0.081 Cl
ATOM      6  C   LIG    1        3.126   0.254   0.368  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        2.319   0.749   1.387  0.00  0.00    +0.004 A 
ATOM      8  C   LIG    1        0.927   0.638   1.297  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  11
ATOM      9  O   LIG    1       -1.473   0.072  -2.251  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -1.844  -0.072  -1.096  0.00  0.00    +0.263 A 
ATOM     11  N   LIG    1       -1.111  -0.041   0.092  0.00  0.00    -0.244 N 
ATOM     12  S   LIG    1       -2.109  -0.069   1.489  0.00  0.00    -0.012 S 
ATOM     13  C   LIG    1       -3.521  -0.246   0.517  0.00  0.00    +0.069 A 
ATOM     14  C   LIG    1       -3.285  -0.239  -0.795  0.00  0.00    +0.079 A 
ENDBRANCH   1  11
TORSDOF 1