REMARK  Name = BDB031089
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.675  -1.272   1.260  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1       -0.381  -1.431   0.932  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -0.008  -2.592   0.348  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -0.898  -3.628   0.097  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.229  -3.456   0.455  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -2.624  -2.261   1.047  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.407  -2.699   0.022  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        2.225  -1.672  -0.432  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1        3.493  -2.223  -0.607  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        4.522  -1.359  -1.068  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1        4.248  -0.068  -1.335  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        2.906   0.503  -1.169  0.00  0.00    -0.028 A 
ATOM     13  N   LIG    1        3.521  -3.503  -0.314  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1        1.944  -0.333  -0.723  0.00  0.00    +0.097 A 
ATOM     15  C   LIG    1        2.244  -3.802   0.075  0.00  0.00    +0.141 A 
BRANCH  12  16
ATOM     16  C   LIG    1        2.645   1.925  -1.482  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1        3.324   2.617  -2.635  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        3.672   2.996  -1.222  0.00  0.00    +0.009 C 
ENDBRANCH  12  16
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1       -1.990  -0.041   1.847  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1       -1.058   0.376   1.934  0.00  0.00    +0.148 HD
BRANCH  19  23
ATOM     21  F   LIG    1       -1.568   2.788   0.506  0.00  0.00    -0.242 F 
ATOM     22  C   LIG    1       -2.568   2.302   1.286  0.00  0.00    +0.201 C 
ATOM     23  C   LIG    1       -2.809   0.823   0.973  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -4.309   0.706   1.253  0.00  0.00    +0.106 C 
ATOM     25  N   LIG    1       -4.881   1.941   0.704  0.00  0.00    -0.311 NA
ATOM     26  H   LIG    1       -5.777   2.155   1.141  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -3.893   2.994   0.975  0.00  0.00    +0.119 C 
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 4