REMARK  Name = BDB057178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.736  -0.050   0.057  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1        1.359  -0.226  -1.151  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        0.897  -0.474  -2.013  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        2.709  -0.057  -0.972  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        2.846   0.245   0.384  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        4.139   0.481   0.890  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        5.245   0.397   0.028  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        5.055   0.089  -1.314  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        6.123   0.016  -2.120  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        3.789  -0.144  -1.854  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1        1.615   0.215   0.999  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  22
ATOM     12  C   LIG    1       -1.536   1.152  -1.778  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -1.712   0.308  -0.554  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -2.995  -0.089  -0.034  0.00  0.00    -0.031 A 
ATOM     15  C   LIG    1       -4.355   0.231  -0.588  0.00  0.00    +0.051 C 
ATOM     16  C   LIG    1       -5.450  -0.621   0.094  0.00  0.00    +0.086 C 
ATOM     17  N   LIG    1       -5.298  -0.693   1.560  0.00  0.00    -0.311 NA
ATOM     18  H   LIG    1       -5.242   0.259   1.926  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1       -4.034  -1.372   1.917  0.00  0.00    +0.124 C 
ATOM     20  C   LIG    1       -2.882  -0.814   1.136  0.00  0.00    +0.008 A 
ATOM     21  S   LIG    1       -1.272  -1.040   1.608  0.00  0.00    -0.088 S 
ATOM     22  C   LIG    1       -0.681  -0.180   0.245  0.00  0.00    +0.058 A 
ENDBRANCH   1  22
BRANCH   6  23
ATOM     23  C   LIG    1        4.337   0.838   2.304  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        3.707   1.728   2.855  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1        5.302   0.129   2.969  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        5.338   0.280   3.969  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        5.640  -0.756   2.618  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
TORSDOF 2