REMARK  Name = BDB006871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.872   0.248  -0.893  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1        3.657  -0.904  -0.897  0.00  0.00    +0.148 A 
ATOM      3  F   LIG    1        4.973  -0.843  -1.138  0.00  0.00    -0.203 F 
ATOM      4  C   LIG    1        3.093  -2.148  -0.629  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.729  -2.213  -0.361  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        0.913  -3.445  -0.048  0.00  0.00    +0.008 C 
ATOM      7  C   LIG    1       -0.506  -2.841   0.109  0.00  0.00    +0.124 C 
ATOM      8  N   LIG    1       -0.397  -1.380  -0.057  0.00  0.00    -0.269 N 
ATOM      9  C   LIG    1       -1.452  -0.474   0.039  0.00  0.00    +0.234 C 
ATOM     10  O   LIG    1       -1.312   0.741  -0.101  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        1.379  -4.100   1.257  0.00  0.00    +0.017 C 
ATOM     12  C   LIG    1        0.955  -4.456  -1.199  0.00  0.00    +0.017 C 
ATOM     13  C   LIG    1        0.941  -1.058  -0.354  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1        1.499   0.184  -0.623  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1  15
ATOM     15  S   LIG    1        3.637   1.798  -1.261  0.00  0.00    +0.002 S 
ATOM     16  O   LIG    1        2.639   2.833  -1.057  0.00  0.00    -0.169 OA
ATOM     17  O   LIG    1        4.269   1.645  -2.558  0.00  0.00    -0.169 OA
BRANCH  15  19
ATOM     18  C   LIG    1        4.335   2.005   1.399  0.00  0.00    +0.032 C 
ATOM     19  C   LIG    1        4.912   2.023  -0.013  0.00  0.00    +0.130 C 
ATOM     20  C   LIG    1        5.659   3.332  -0.266  0.00  0.00    +0.032 C 
ENDBRANCH  15  19
ENDBRANCH   1  15
BRANCH   9  21
ATOM     21  C   LIG    1       -2.828  -1.116   0.329  0.00  0.00    +0.181 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.953  -0.180   0.487  0.00  0.00    -0.291 NA
ATOM     23  C   LIG    1       -4.259   0.610  -0.720  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1       -4.299   2.149  -0.503  0.00  0.00    +0.065 C 
ATOM     25  C   LIG    1       -4.759   2.859  -1.774  0.00  0.00    +0.025 C 
ATOM     26  N   LIG    1       -5.179   2.554   0.609  0.00  0.00    -0.311 NA
ATOM     27  H   LIG    1       -4.949   3.510   0.875  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1       -5.034   1.665   1.773  0.00  0.00    +0.096 C 
ATOM     29  C   LIG    1       -3.876   0.643   1.699  0.00  0.00    +0.100 C 
ENDBRANCH  21  22
ENDBRANCH   9  21
TORSDOF 4