REMARK  Name = BDB021747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.890   0.267  -1.280  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.821  -0.670  -0.821  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.052  -0.608  -1.440  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.024  -0.332  -2.409  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.554  -1.498   0.045  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.237  -1.250  -1.022  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -4.427  -1.751   0.271  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -5.639  -2.361   0.644  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -6.664  -2.468  -0.304  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -6.476  -1.956  -1.581  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -7.465  -2.050  -2.479  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -5.281  -1.345  -1.946  0.00  0.00    +0.061 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -5.813  -2.918   2.034  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -5.278  -4.162   2.168  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -7.122  -3.035   2.398  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -5.233  -2.148   2.995  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1        2.821  -0.778   0.667  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1        2.152   0.450   1.097  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        0.670   0.447   0.713  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        0.509   0.201  -0.792  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1        1.220  -1.097  -1.192  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        2.689  -1.054  -0.763  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1        4.169  -0.969   1.240  0.00  0.00    +0.056 C 
ATOM     24  C   LIG    1        4.307  -2.477   1.528  0.00  0.00    +0.024 C 
BRANCH  23  26
ATOM     25  C   LIG    1        5.325   1.091   0.197  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1        5.387  -0.425   0.423  0.00  0.00    -0.000 C 
ATOM     27  C   LIG    1        6.724  -0.746   1.110  0.00  0.00    +0.009 C 
ENDBRANCH  23  26
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  28
ATOM     28  C   LIG    1       -1.258   1.496  -2.000  0.00  0.00    +0.144 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.347   2.708  -1.102  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -2.341   2.795  -0.115  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -2.420   3.914   0.715  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -1.512   4.960   0.565  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.523   4.887  -0.413  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -0.440   3.768  -1.244  0.00  0.00    +0.005 A 
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 7