REMARK  Name = BDB028825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.565   0.343   1.175  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.861  -0.743   0.620  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        1.527  -1.648  -0.215  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1        2.868  -1.445  -0.550  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        3.557  -0.323  -0.069  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1        2.889   0.569   0.783  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        5.004  -0.092  -0.429  0.00  0.00    +0.417 C 
ATOM      8  F   LIG    1        5.858  -0.640   0.478  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1        5.343  -0.633  -1.634  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1        5.334   1.226  -0.511  0.00  0.00    -0.166 F 
ENDBRANCH   5   7
BRANCH   1  11
ATOM     11  N   LIG    1        0.919   1.342   1.939  0.00  0.00    -0.357 N 
ATOM     12  H   LIG    1        0.527   2.051   1.307  0.00  0.00    +0.142 HD
ATOM     13  H   LIG    1        0.128   0.936   2.437  0.00  0.00    +0.142 HD
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  S   LIG    1       -0.878  -1.011   0.959  0.00  0.00    -0.111 S 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.598  -0.065  -0.443  0.00  0.00    +0.138 C 
ATOM     16  C   LIG    1       -1.951   1.337   0.038  0.00  0.00    +0.233 C 
ATOM     17  O   LIG    1       -1.115   2.235   0.145  0.00  0.00    -0.274 OA
ATOM     18  N   LIG    1       -3.256   1.561   0.409  0.00  0.00    -0.255 N 
ATOM     19  H   LIG    1       -3.469   2.491   0.744  0.00  0.00    +0.158 HD
ATOM     20  C   LIG    1       -4.307   0.679   0.403  0.00  0.00    +0.219 C 
ATOM     21  O   LIG    1       -5.418   1.023   0.795  0.00  0.00    -0.275 OA
ATOM     22  C   LIG    1       -4.012  -0.727  -0.054  0.00  0.00    +0.098 C 
ATOM     23  C   LIG    1       -2.833  -0.761  -1.015  0.00  0.00    +0.033 C 
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 4