REMARK  Name = BDB021976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.198   1.487  -1.056  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1        1.446   0.915  -1.320  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.561  -0.420  -1.008  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        0.716  -0.887  -0.739  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        2.358   1.572  -1.817  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.705  -1.242  -1.097  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1        2.533  -2.603  -0.801  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        3.616  -3.483  -0.861  0.00  0.00    +0.078 A 
ATOM      9 CL   LIG    1        3.371  -5.148  -0.496  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1        4.877  -3.010  -1.210  0.00  0.00    +0.142 A 
ATOM     11  F   LIG    1        5.929  -3.839  -1.272  0.00  0.00    -0.204 F 
ATOM     12  C   LIG    1        5.064  -1.665  -1.500  0.00  0.00    +0.041 A 
ATOM     13  C   LIG    1        3.980  -0.782  -1.441  0.00  0.00    +0.026 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1       -2.919  -0.873   0.640  0.00  0.00    -0.302 NA
ATOM     15  C   LIG    1       -2.195  -1.404  -0.507  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1       -1.617  -0.249  -1.330  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1       -0.994   0.846  -0.444  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -0.777   0.390   1.004  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -2.076  -0.159   1.605  0.00  0.00    +0.086 C 
BRANCH  14  21
ATOM     20  C   LIG    1       -3.218  -3.123   1.770  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -3.841  -1.824   1.266  0.00  0.00    +0.081 C 
ENDBRANCH  14  21
ENDBRANCH   1  17
BRANCH   1  22
ATOM     22  C   LIG    1        0.076   2.924  -1.337  0.00  0.00    +0.183 C 
BRANCH  22  23
ATOM     23  C   LIG    1        0.040   3.708  -0.070  0.00  0.00    +0.122 A 
ATOM     24  O   LIG    1        1.155   3.669   0.718  0.00  0.00    -0.466 OA
ATOM     25  C   LIG    1        0.905   4.444   1.803  0.00  0.00    +0.195 A 
ATOM     26  C   LIG    1       -0.358   4.983   1.729  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -0.918   4.510   0.518  0.00  0.00    +0.046 A 
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 5