REMARK  Name = BDB057190
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.463   0.143  -0.831  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1        2.269  -0.072  -1.920  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1        1.959  -0.402  -2.821  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        3.562   0.235  -1.576  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        3.486   0.610  -0.234  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        4.673   0.986   0.425  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        5.887   0.979  -0.283  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1        5.909   0.598  -1.619  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        7.077   0.596  -2.274  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1        4.755   0.213  -2.303  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1        2.179   0.563   0.192  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -3.670  -0.412   0.542  0.00  0.00    +0.091 C 
ATOM     13  C   LIG    1       -2.329  -0.344  -0.168  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -2.148  -0.493  -1.531  0.00  0.00    -0.034 A 
ATOM     15  C   LIG    1       -0.779  -0.355  -1.909  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1        0.041  -0.064  -0.833  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1       -3.316  -0.768  -2.424  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -4.629  -0.364  -1.724  0.00  0.00    +0.086 C 
ATOM     19  S   LIG    1       -0.870   0.054   0.617  0.00  0.00    -0.088 S 
ATOM     20  N   LIG    1       -4.723  -0.931  -0.371  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1       -5.633  -0.705   0.026  0.00  0.00    +0.123 HD
BRANCH  12  23
ATOM     22  C   LIG    1       -4.929  -1.329   2.587  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1       -3.622  -1.302   1.802  0.00  0.00    +0.020 C 
ENDBRANCH  12  23
ENDBRANCH   1  16
BRANCH   6  24
ATOM     24  C   LIG    1        4.655   1.362   1.849  0.00  0.00    +0.244 C 
ATOM     25  O   LIG    1        4.099   0.691   2.705  0.00  0.00    -0.270 OA
ATOM     26  N   LIG    1        5.330   2.509   2.172  0.00  0.00    -0.325 N 
ATOM     27  H   LIG    1        5.568   3.197   1.471  0.00  0.00    +0.145 HD
ATOM     28  H   LIG    1        5.200   2.835   3.122  0.00  0.00    +0.145 HD
ENDBRANCH   6  24
TORSDOF 3