REMARK  Name = BDB057166
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.929   0.264  -1.254  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -2.674  -0.151  -0.768  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -2.579  -1.401  -0.156  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1       -1.257  -1.511   0.197  0.00  0.00    -0.337 N 
ATOM      5  H   LIG    1       -0.829  -2.305   0.648  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.609  -0.359  -0.168  0.00  0.00    +0.146 A 
ATOM      7  C   LIG    1       -3.665  -2.265   0.003  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -4.893  -1.818  -0.485  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -5.966  -2.610  -0.355  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1       -1.449   0.476  -0.744  0.00  0.00    -0.226 NA
ATOM     11  C   LIG    1       -5.041  -0.582  -1.104  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        0.790  -0.118   0.060  0.00  0.00    +0.055 A 
ATOM     13  S   LIG    1        1.562   1.276  -0.585  0.00  0.00    -0.089 S 
ATOM     14  C   LIG    1        3.065   0.833   0.070  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        4.296   1.671  -0.095  0.00  0.00    +0.123 C 
ATOM     16  N   LIG    1        5.513   0.914   0.269  0.00  0.00    -0.311 NA
ATOM     17  H   LIG    1        6.285   1.572   0.357  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        5.335   0.182   1.535  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        4.231  -0.895   1.442  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1        3.001  -0.342   0.789  0.00  0.00    -0.034 A 
ATOM     21  C   LIG    1        1.686  -0.896   0.776  0.00  0.00    +0.023 A 
ENDBRANCH   6  12
BRANCH   1  25
ATOM     22  N   LIG    1       -5.135   2.332  -1.525  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1       -5.593   2.170  -0.639  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1       -5.153   3.273  -1.896  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1       -4.080   1.560  -1.936  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1       -3.334   1.930  -2.830  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 2