REMARK  Name = BDB057168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.146  -0.164  -0.239  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1       -3.768  -0.430  -0.094  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -3.352  -1.744   0.116  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1       -1.987  -1.662   0.213  0.00  0.00    -0.337 N 
ATOM      5  H   LIG    1       -1.347  -2.428   0.364  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -1.617  -0.348   0.067  0.00  0.00    +0.146 A 
ATOM      7  C   LIG    1       -4.233  -2.825   0.190  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -5.590  -2.532   0.043  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -6.475  -3.536   0.108  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1       -2.674   0.417  -0.120  0.00  0.00    -0.226 NA
ATOM     11  C   LIG    1       -6.051  -1.237  -0.167  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.262   0.121   0.112  0.00  0.00    +0.055 A 
ATOM     13  S   LIG    1        1.064  -0.922   0.422  0.00  0.00    -0.088 S 
ATOM     14  C   LIG    1        2.191   0.347   0.280  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        3.681   0.166   0.475  0.00  0.00    +0.094 C 
ATOM     16  N   LIG    1        4.420   1.365   0.015  0.00  0.00    -0.308 NA
ATOM     17  H   LIG    1        5.373   1.304   0.366  0.00  0.00    +0.123 HD
ATOM     18  C   LIG    1        3.796   2.612   0.486  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        2.383   2.812  -0.101  0.00  0.00    +0.051 C 
ATOM     20  C   LIG    1        1.574   1.560   0.036  0.00  0.00    -0.034 A 
ATOM     21  C   LIG    1        0.159   1.425  -0.070  0.00  0.00    +0.023 A 
BRANCH  15  22
ATOM     22  C   LIG    1        4.294  -0.980  -0.294  0.00  0.00    +0.011 C 
ATOM     23  C   LIG    1        4.397  -2.361   0.312  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        5.641  -1.546   0.101  0.00  0.00    +0.006 C 
ENDBRANCH  15  22
ENDBRANCH   6  12
BRANCH   1  28
ATOM     25  N   LIG    1       -4.758   2.220  -0.530  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -3.760   2.046  -0.433  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -5.087   3.162  -0.688  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -5.666   1.204  -0.464  0.00  0.00    +0.244 C 
ATOM     29  O   LIG    1       -6.866   1.418  -0.586  0.00  0.00    -0.270 OA
ENDBRANCH   1  28
TORSDOF 3