REMARK  Name = BDB057171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.331  -0.672  -0.128  0.00  0.00    +0.146 A 
ATOM      2  N   LIG    1       -2.060  -1.814  -0.348  0.00  0.00    -0.337 N 
ATOM      3  H   LIG    1       -1.664  -2.726  -0.526  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -3.393  -1.500  -0.281  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -3.417  -0.133  -0.014  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -4.664   0.516   0.118  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1       -5.838  -0.244  -0.026  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -5.764  -1.607  -0.292  0.00  0.00    +0.126 A 
ATOM      9  F   LIG    1       -6.899  -2.307  -0.425  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -4.546  -2.274  -0.428  0.00  0.00    +0.066 A 
ATOM     11  N   LIG    1       -2.127   0.358   0.077  0.00  0.00    -0.226 NA
ENDROOT
BRANCH   1  18
ATOM     12  C   LIG    1        5.769   1.457   0.600  0.00  0.00    +0.105 C 
ATOM     13  N   LIG    1        4.659   0.506   0.555  0.00  0.00    -0.301 NA
ATOM     14  C   LIG    1        3.397   1.219   0.252  0.00  0.00    +0.120 C 
ATOM     15  C   LIG    1        2.279   0.232   0.057  0.00  0.00    -0.022 A 
ATOM     16  C   LIG    1        2.507  -1.093  -0.251  0.00  0.00    -0.004 A 
ATOM     17  S   LIG    1        1.081  -1.989  -0.444  0.00  0.00    -0.090 S 
ATOM     18  C   LIG    1        0.102  -0.615  -0.124  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        3.872  -1.690  -0.363  0.00  0.00    +0.058 C 
ATOM     20  C   LIG    1        0.878   0.503   0.125  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        4.926  -0.562  -0.434  0.00  0.00    +0.089 C 
ENDBRANCH   1  18
BRANCH   6  22
ATOM     22  C   LIG    1       -4.773   1.965   0.402  0.00  0.00    +0.244 C 
ATOM     23  O   LIG    1       -5.864   2.513   0.512  0.00  0.00    -0.270 OA
ATOM     24  N   LIG    1       -3.614   2.670   0.538  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -2.706   2.217   0.453  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -3.661   3.658   0.738  0.00  0.00    +0.145 HD
ENDBRANCH   6  22
TORSDOF 2