REMARK  Name = BDB057180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.763   0.733   0.667  0.00  0.00    +0.067 A 
ATOM      2  C   LIG    1        2.545   0.115   0.321  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1        2.582  -1.014  -0.496  0.00  0.00    +0.070 A 
ATOM      4  N   LIG    1        1.268  -1.367  -0.656  0.00  0.00    -0.336 N 
ATOM      5  H   LIG    1        0.915  -2.139  -1.203  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1        0.481  -0.499   0.068  0.00  0.00    +0.164 A 
ATOM      7  C   LIG    1        3.767  -1.571  -0.985  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1        4.954  -0.938  -0.614  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1        6.116  -1.436  -1.056  0.00  0.00    -0.205 F 
ATOM     10  N   LIG    1        1.244   0.397   0.671  0.00  0.00    -0.225 NA
ATOM     11  C   LIG    1        4.970   0.192   0.195  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -0.958  -0.541   0.169  0.00  0.00    +0.135 C 
ATOM     13  S   LIG    1       -1.783  -1.757  -0.767  0.00  0.00    -0.096 S 
ATOM     14  C   LIG    1       -3.370  -1.317   0.003  0.00  0.00    +0.091 C 
ATOM     15  C   LIG    1       -3.112  -0.018   0.775  0.00  0.00    +0.122 C 
ATOM     16  C   LIG    1       -3.799   1.201   0.150  0.00  0.00    +0.043 C 
ATOM     17  C   LIG    1       -3.743   1.159  -1.374  0.00  0.00    +0.083 C 
ATOM     18  N   LIG    1       -4.345  -0.043  -1.961  0.00  0.00    -0.315 NA
ATOM     19  H   LIG    1       -3.783  -0.333  -2.762  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -4.495  -1.161  -1.024  0.00  0.00    +0.097 C 
ATOM     21  N   LIG    1       -1.664   0.249   0.901  0.00  0.00    -0.269 NA
ENDBRANCH   6  12
BRANCH   1  25
ATOM     22  N   LIG    1        4.643   1.940   2.555  0.00  0.00    -0.325 N 
ATOM     23  H   LIG    1        5.021   1.077   2.920  0.00  0.00    +0.145 HD
ATOM     24  H   LIG    1        4.552   2.719   3.196  0.00  0.00    +0.145 HD
ATOM     25  C   LIG    1        3.778   1.950   1.493  0.00  0.00    +0.244 C 
ATOM     26  O   LIG    1        3.090   2.927   1.241  0.00  0.00    -0.270 OA
ENDBRANCH   1  25
TORSDOF 2