REMARK  Name = BDB031103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.569  -2.259  -0.489  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        0.465  -1.434  -0.198  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        1.353  -1.834   0.730  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        1.224  -3.059   1.383  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.154  -3.896   1.076  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.760  -3.493   0.114  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -2.784   1.616  -0.787  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -2.084   0.485  -0.570  0.00  0.00    +0.102 A 
ATOM      9  N   LIG    1       -2.096  -0.541  -1.518  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -2.842  -0.473  -2.693  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -2.741  -1.575  -3.403  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -1.895  -2.380  -2.687  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -3.583   0.719  -2.930  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -1.466  -1.773  -1.521  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -3.557   1.718  -2.027  0.00  0.00    +0.014 A 
BRANCH   7  17
ATOM     16  F   LIG    1       -2.317   2.442   1.392  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1       -2.824   2.770   0.173  0.00  0.00    +0.373 C 
ATOM     18  F   LIG    1       -4.105   3.174   0.399  0.00  0.00    -0.204 F 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  19
ATOM     19  N   LIG    1        2.486  -1.057   1.023  0.00  0.00    -0.319 N 
ATOM     20  H   LIG    1        2.533  -0.930   2.034  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.563   0.245   0.324  0.00  0.00    +0.156 C 
ATOM     22  C   LIG    1        1.869   1.393   1.058  0.00  0.00    +0.280 C 
ATOM     23  F   LIG    1        1.939   1.195   2.405  0.00  0.00    -0.202 F 
ATOM     24  F   LIG    1        0.568   1.532   0.738  0.00  0.00    -0.202 F 
ATOM     25  C   LIG    1        2.679   2.639   0.689  0.00  0.00    +0.158 C 
ATOM     26  N   LIG    1        3.932   2.189   0.048  0.00  0.00    -0.309 NA
ATOM     27  H   LIG    1        4.738   2.679   0.437  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        4.014   0.749   0.335  0.00  0.00    +0.109 C 
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 4