REMARK  Name = BDB055946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.167  -1.259  -1.002  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -3.421  -0.179  -0.276  0.00  0.00    -0.036 A 
ATOM      3  C   LIG    1       -1.942  -0.205  -0.225  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -1.269   0.819   0.461  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        0.127   0.845   0.542  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        0.901  -0.158  -0.063  0.00  0.00    -0.013 A 
ATOM      7  C   LIG    1        0.225  -1.179  -0.749  0.00  0.00    +0.009 A 
ATOM      8  N   LIG    1       -2.003   1.840   1.077  0.00  0.00    -0.322 N 
ATOM      9  H   LIG    1       -1.532   2.586   1.571  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -3.366   1.907   1.057  0.00  0.00    +0.249 A 
ATOM     11  O   LIG    1       -3.988   2.810   1.605  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1       -1.174  -1.204  -0.830  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -4.073   0.826   0.335  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   6  14
ATOM     14  C   LIG    1        2.372  -0.142   0.027  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        3.186  -0.269  -1.111  0.00  0.00    +0.131 A 
ATOM     16  F   LIG    1        2.632  -0.402  -2.327  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        4.577  -0.252  -1.026  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        5.194  -0.108   0.214  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        4.414   0.017   1.361  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        3.018   0.000   1.268  0.00  0.00    +0.011 A 
ENDBRANCH   6  14
TORSDOF 1