REMARK  Name = BDB031131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.449   1.451  -0.631  0.00  0.00    +0.120 A 
ATOM      2  N   LIG    1       -1.230   1.711  -0.122  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -0.145   1.315  -0.824  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -0.224   0.678  -2.053  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -1.484   0.424  -2.574  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -2.611   0.817  -1.854  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.120   1.650  -0.198  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1        2.154   0.773   0.076  0.00  0.00    -0.298 N 
ATOM      9  C   LIG    1        3.178   1.525   0.644  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        4.380   0.847   0.989  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        4.521  -0.488   0.799  0.00  0.00    -0.039 A 
ATOM     12  C   LIG    1        3.393  -1.238   0.227  0.00  0.00    +0.022 A 
ATOM     13  N   LIG    1        2.838   2.788   0.782  0.00  0.00    -0.235 NA
ATOM     14  C   LIG    1        2.259  -0.604  -0.115  0.00  0.00    +0.093 A 
ATOM     15  C   LIG    1        1.560   2.866   0.293  0.00  0.00    +0.141 A 
BRANCH  11  16
ATOM     16  C   LIG    1        5.772  -1.199   1.158  0.00  0.00    +0.019 C 
ATOM     17  C   LIG    1        6.278  -2.374   0.361  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        5.749  -2.582   1.755  0.00  0.00    +0.009 C 
ENDBRANCH  11  16
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1       -3.501   1.894   0.157  0.00  0.00    -0.322 N 
ATOM     20  H   LIG    1       -3.024   2.311   0.960  0.00  0.00    +0.148 HD
BRANCH  19  23
ATOM     21  F   LIG    1       -4.070  -0.497   2.438  0.00  0.00    -0.242 F 
ATOM     22  C   LIG    1       -4.039  -0.426   1.080  0.00  0.00    +0.201 C 
ATOM     23  C   LIG    1       -4.538   0.949   0.619  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.626   0.651  -0.426  0.00  0.00    +0.106 C 
ATOM     25  N   LIG    1       -5.500  -0.777  -0.757  0.00  0.00    -0.311 NA
ATOM     26  H   LIG    1       -6.400  -1.158  -1.050  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -5.052  -1.400   0.492  0.00  0.00    +0.119 C 
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 4