REMARK  Name = BDB063246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.549   0.058   0.824  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -0.574   0.025  -0.118  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.701   0.094   0.303  0.00  0.00    +0.241 A 
ATOM      4  N   LIG    1        1.016   0.203   1.608  0.00  0.00    -0.113 NA
ATOM      5  N   LIG    1        0.039   0.269   2.554  0.00  0.00    -0.151 NA
ATOM      6  C   LIG    1       -1.240   0.203   2.156  0.00  0.00    +0.181 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -4.031  -0.486   1.075  0.00  0.00    +0.116 A 
ATOM      8  N   LIG    1       -2.906  -0.016   0.389  0.00  0.00    -0.279 N 
ATOM      9  C   LIG    1       -3.360   0.377  -0.873  0.00  0.00    +0.078 A 
ATOM     10  C   LIG    1       -4.742   0.218  -0.823  0.00  0.00    +0.090 A 
ATOM     11  C   LIG    1       -5.535   0.562  -1.931  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -4.915   1.067  -3.077  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -3.536   1.228  -3.107  0.00  0.00    +0.125 A 
ATOM     14  F   LIG    1       -2.961   1.721  -4.212  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -2.729   0.898  -2.016  0.00  0.00    +0.066 A 
ATOM     16  N   LIG    1       -5.134  -0.290   0.378  0.00  0.00    -0.232 NA
BRANCH   7  18
ATOM     17  C   LIG    1       -4.669  -0.455   3.490  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -4.045  -1.258   2.359  0.00  0.00    +0.071 C 
ENDBRANCH   7  18
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  N   LIG    1        1.659   0.032  -0.705  0.00  0.00    -0.282 N 
ATOM     20  H   LIG    1        1.200  -0.068  -1.599  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.056   0.101  -0.719  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        3.723  -0.056  -1.942  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        5.119  -0.009  -2.022  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1        5.888   0.188  -0.876  0.00  0.00    +0.127 A 
ATOM     25  C   LIG    1        5.242   0.358   0.345  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        3.841   0.309   0.419  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  O   LIG    1        7.237   0.212  -1.087  0.00  0.00    -0.434 OA
BRANCH  27  28
ATOM     28  C   LIG    1        8.056   0.085   0.063  0.00  0.00    +0.541 C 
ATOM     29  F   LIG    1        8.036   1.249   0.757  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        9.332  -0.087  -0.368  0.00  0.00    -0.166 F 
ENDBRANCH  27  28
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 6