REMARK  Name = BDB058152
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.456   0.213  -0.181  0.00  0.00    +0.160 A 
ATOM      2  N   LIG    1        1.973   1.028  -1.164  0.00  0.00    -0.305 N 
ATOM      3  H   LIG    1        1.320   1.488  -1.790  0.00  0.00    +0.170 HD
ATOM      4  C   LIG    1        3.310   1.254  -1.347  0.00  0.00    +0.260 A 
ATOM      5  O   LIG    1        3.748   1.983  -2.228  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        4.196   0.554  -0.403  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        3.596  -0.257   0.569  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1        4.417  -0.932   1.477  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        5.806  -0.796   1.411  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        6.374   0.017   0.435  0.00  0.00    +0.124 A 
ATOM     11  F   LIG    1        7.706   0.143   0.377  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        5.583   0.699  -0.479  0.00  0.00    +0.053 A 
ATOM     13  N   LIG    1        2.204  -0.421   0.669  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1       -2.784   0.018  -0.256  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -2.018   0.773  -1.145  0.00  0.00    +0.118 A 
ATOM     16  N   LIG    1       -0.664   0.844  -1.132  0.00  0.00    -0.252 NA
ATOM     17  C   LIG    1       -0.031   0.119  -0.175  0.00  0.00    +0.106 A 
ATOM     18  C   LIG    1       -0.688  -0.666   0.760  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1       -2.080  -0.713   0.714  0.00  0.00    +0.010 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -4.929   0.539   0.955  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1       -4.303  -0.012  -0.332  0.00  0.00    +0.087 C 
ATOM     22  C   LIG    1       -4.811  -1.431  -0.617  0.00  0.00    +0.046 C 
BRANCH  21  23
ATOM     23  O   LIG    1       -4.748   0.820  -1.409  0.00  0.00    -0.384 OA
ATOM     24  H   LIG    1       -5.719   0.783  -1.435  0.00  0.00    +0.211 HD
ENDBRANCH  21  23
ENDBRANCH  14  21
ENDBRANCH   1  17
TORSDOF 3