REMARK  Name = BDB049716
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.336  -0.068   0.060  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1       -1.102  -1.184   0.454  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -2.493  -1.101   0.598  0.00  0.00    +0.078 A 
ATOM      4 CL   LIG    1       -3.378  -2.497   1.082  0.00  0.00    -0.081 Cl
ATOM      5  C   LIG    1       -3.147   0.098   0.351  0.00  0.00    +0.142 A 
ATOM      6  F   LIG    1       -4.478   0.200   0.482  0.00  0.00    -0.204 F 
ATOM      7  C   LIG    1       -2.424   1.215  -0.038  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -1.033   1.131  -0.181  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  11
ATOM      9  O   LIG    1        1.679   2.052  -0.755  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1        1.937   0.891  -0.471  0.00  0.00    +0.264 A 
ATOM     11  N   LIG    1        1.086  -0.151  -0.087  0.00  0.00    -0.245 N 
ATOM     12  S   LIG    1        1.950  -1.612   0.206  0.00  0.00    +0.008 S 
ATOM     13  C   LIG    1        3.439  -0.851  -0.178  0.00  0.00    +0.100 A 
ATOM     14 CL   LIG    1        4.920  -1.699  -0.125  0.00  0.00    -0.074 Cl
ATOM     15  C   LIG    1        3.342   0.432  -0.514  0.00  0.00    +0.099 A 
ENDBRANCH   1  11
TORSDOF 1