REMARK  Name = BDB033503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.795  -2.308  -0.310  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -1.736  -1.476   0.365  0.00  0.00    -0.041 A 
ATOM      3  C   LIG    1       -1.444  -0.127   0.016  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1       -0.423   0.532   0.711  0.00  0.00    +0.070 A 
ATOM      5  N   LIG    1       -0.352   1.816   0.224  0.00  0.00    -0.359 N 
ATOM      6  H   LIG    1        0.289   2.516   0.573  0.00  0.00    +0.165 HD
ATOM      7  C   LIG    1       -1.256   1.991  -0.781  0.00  0.00    +0.096 A 
ATOM      8  C   LIG    1        0.329  -0.073   1.723  0.00  0.00    +0.072 A 
ATOM      9  C   LIG    1        0.043  -1.394   2.051  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -1.962   0.810  -0.951  0.00  0.00    +0.080 A 
ATOM     11  C   LIG    1       -0.968  -2.081   1.385  0.00  0.00    +0.006 A 
ENDROOT
BRANCH  10  12
ATOM     12  C   LIG    1       -3.051   0.580  -1.946  0.00  0.00    +0.419 C 
ATOM     13  F   LIG    1       -3.199   1.633  -2.795  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1       -4.256   0.398  -1.348  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -2.822  -0.510  -2.722  0.00  0.00    -0.166 F 
ENDBRANCH  10  12
BRANCH   8  16
ATOM     16  N   LIG    1        1.409   0.635   2.342  0.00  0.00    -0.214 N 
ATOM     17  H   LIG    1        1.431   0.491   3.354  0.00  0.00    +0.174 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.967   0.236   1.769  0.00  0.00    +0.080 S 
ATOM     19  O   LIG    1        3.134  -1.199   1.867  0.00  0.00    -0.149 OA
ATOM     20  O   LIG    1        3.890   1.132   2.431  0.00  0.00    -0.149 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.058   0.601   0.052  0.00  0.00    +0.165 A 
ATOM     22  S   LIG    1        3.165   2.246  -0.416  0.00  0.00    -0.055 S 
ATOM     23  C   LIG    1        3.200   1.755  -2.060  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1        3.126   0.462  -2.281  0.00  0.00    -0.254 NA
ATOM     25  C   LIG    1        3.046  -0.200  -1.069  0.00  0.00    +0.147 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   8  16
TORSDOF 4