REMARK  Name = BDB057179
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.958  -2.822  -0.354  0.00  0.00    +0.151 C 
ATOM      2  N   LIG    1        1.355  -1.531   0.158  0.00  0.00    -0.326 N 
ATOM      3  C   LIG    1        2.638  -1.194   0.538  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        2.568   0.167   0.844  0.00  0.00    +0.102 A 
ATOM      5  C   LIG    1        3.740   0.833   1.257  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1        4.943   0.116   1.355  0.00  0.00    +0.053 A 
ATOM      7  C   LIG    1        4.969  -1.236   1.046  0.00  0.00    +0.126 A 
ATOM      8  F   LIG    1        6.127  -1.903   1.149  0.00  0.00    -0.205 F 
ATOM      9  N   LIG    1        1.292   0.629   0.636  0.00  0.00    -0.226 NA
ATOM     10  C   LIG    1        3.830  -1.926   0.631  0.00  0.00    +0.066 A 
ATOM     11  C   LIG    1        0.561  -0.411   0.284  0.00  0.00    +0.148 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1       -0.853  -0.298   0.038  0.00  0.00    +0.055 A 
ATOM     13  S   LIG    1       -1.991  -1.512   0.455  0.00  0.00    -0.089 S 
ATOM     14  C   LIG    1       -3.295  -0.586  -0.117  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1       -4.717  -1.054  -0.047  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1       -5.596  -0.229  -0.901  0.00  0.00    -0.311 NA
ATOM     17  H   LIG    1       -6.564  -0.432  -0.659  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -5.334   1.211  -0.707  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -3.903   1.615  -1.129  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1       -2.897   0.648  -0.589  0.00  0.00    -0.034 A 
ATOM     21  C   LIG    1       -1.487   0.817  -0.485  0.00  0.00    +0.023 A 
ENDBRANCH  11  12
BRANCH   5  22
ATOM     22  C   LIG    1        3.705   2.265   1.607  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1        2.833   2.760   2.304  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1        4.733   3.027   1.115  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1        5.306   2.711   0.346  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        4.633   4.026   1.246  0.00  0.00    +0.145 HD
ENDBRANCH   5  22
TORSDOF 2