REMARK  Name = BDB057176
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.784   0.222  -1.275  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1        2.550  -0.242  -0.782  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        2.484  -1.540  -0.273  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1        1.176  -1.691   0.115  0.00  0.00    -0.335 N 
ATOM      5  H   LIG    1        0.769  -2.522   0.517  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        0.512  -0.517  -0.128  0.00  0.00    +0.175 A 
ATOM      7  C   LIG    1        3.581  -2.404  -0.225  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1        4.789  -1.906  -0.716  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        5.871  -2.696  -0.689  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1        1.324   0.372  -0.661  0.00  0.00    -0.224 NA
ATOM     11  C   LIG    1        4.907  -0.622  -1.234  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.873  -0.301   0.168  0.00  0.00    +0.170 A 
ATOM     13  O   LIG    1       -1.515   0.877  -0.147  0.00  0.00    -0.455 OA
ATOM     14  C   LIG    1       -2.798   0.750   0.252  0.00  0.00    +0.123 A 
ATOM     15  C   LIG    1       -3.769   1.855   0.076  0.00  0.00    +0.156 C 
ATOM     16  N   LIG    1       -5.150   1.362   0.310  0.00  0.00    -0.309 NA
ATOM     17  H   LIG    1       -5.759   2.168   0.439  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1       -5.231   0.478   1.494  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1       -4.368  -0.811   1.365  0.00  0.00    +0.054 C 
ATOM     20  C   LIG    1       -3.020  -0.467   0.845  0.00  0.00    -0.003 A 
ATOM     21  C   LIG    1       -1.787  -1.153   0.787  0.00  0.00    +0.057 A 
ENDBRANCH   6  12
BRANCH   1  25
ATOM     22  N   LIG    1        4.937   2.332  -1.372  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        5.391   2.112  -0.497  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        4.933   3.301  -1.667  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1        3.905   1.570  -1.852  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        3.158   1.986  -2.724  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 2