REMARK  Name = BDB057188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.216  -0.231   0.077  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1       -1.790  -1.327  -0.515  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1       -1.289  -2.080  -0.961  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.154  -1.209  -0.424  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -3.356  -0.015   0.269  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -4.678   0.393   0.531  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -5.747  -0.401   0.083  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -5.493  -1.581  -0.606  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -6.527  -2.324  -1.022  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.197  -2.021  -0.878  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1       -2.145   0.576   0.546  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  20
ATOM     12  C   LIG    1        6.349  -0.657   0.036  0.00  0.00    +0.024 C 
ATOM     13  C   LIG    1        4.982  -0.164   0.507  0.00  0.00    +0.055 C 
ATOM     14  N   LIG    1        4.862   1.283   0.225  0.00  0.00    -0.309 NA
ATOM     15  H   LIG    1        5.651   1.784   0.630  0.00  0.00    +0.123 HD
ATOM     16  C   LIG    1        3.616   1.845   0.787  0.00  0.00    +0.124 C 
ATOM     17  C   LIG    1        2.438   0.976   0.472  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        2.517  -0.333   0.044  0.00  0.00    -0.034 A 
ATOM     19  C   LIG    1        1.222  -0.902  -0.147  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        0.202  -0.012   0.152  0.00  0.00    +0.055 A 
ATOM     21  S   LIG    1        0.836   1.502   0.663  0.00  0.00    -0.089 S 
ATOM     22  C   LIG    1        3.851  -0.978  -0.182  0.00  0.00    +0.054 C 
ENDBRANCH   1  20
BRANCH   6  23
ATOM     23  C   LIG    1       -4.947   1.626   1.288  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1       -4.412   1.876   2.357  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1       -5.867   2.477   0.734  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -5.944   3.381   1.182  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -6.116   2.418  -0.243  0.00  0.00    +0.145 HD
ENDBRANCH   6  23
TORSDOF 2