REMARK  Name = BDB057163
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.994   0.578  -0.694  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -2.730   0.093  -0.305  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.659  -1.156   0.312  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1       -1.322  -1.337   0.567  0.00  0.00    -0.337 N 
ATOM      5  H   LIG    1       -0.911  -2.140   1.016  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.634  -0.249   0.092  0.00  0.00    +0.146 A 
ATOM      7  C   LIG    1       -3.776  -1.955   0.562  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -5.011  -1.445   0.157  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -6.113  -2.176   0.374  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1       -1.466   0.618  -0.447  0.00  0.00    -0.226 NA
ATOM     11  C   LIG    1       -5.136  -0.206  -0.460  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        0.794  -0.102   0.174  0.00  0.00    +0.055 A 
ATOM     13  S   LIG    1        1.585   1.243  -0.545  0.00  0.00    -0.090 S 
ATOM     14  C   LIG    1        3.108   0.702  -0.040  0.00  0.00    -0.004 A 
ATOM     15  C   LIG    1        4.371   1.457  -0.307  0.00  0.00    +0.058 C 
ATOM     16  C   LIG    1        5.582   0.574   0.067  0.00  0.00    +0.086 C 
ATOM     17  N   LIG    1        5.386  -0.170   1.330  0.00  0.00    -0.312 NA
ATOM     18  H   LIG    1        5.124   0.497   2.057  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1        4.291  -1.148   1.201  0.00  0.00    +0.117 C 
ATOM     20  C   LIG    1        3.057  -0.479   0.672  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1        1.708  -0.943   0.790  0.00  0.00    +0.024 A 
ENDBRANCH   6  12
BRANCH   1  25
ATOM     22  N   LIG    1       -4.901   1.955  -2.450  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -4.878   2.836  -2.950  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -5.115   1.123  -2.981  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1       -4.129   1.904  -1.319  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -3.614   2.910  -0.856  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 2