REMARK  Name = BDB063239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.692   0.655   1.042  0.00  0.00    +0.163 A 
ATOM      2  N   LIG    1       -0.709   0.142   0.260  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.563   0.399   0.611  0.00  0.00    +0.241 A 
ATOM      4  N   LIG    1        0.869   1.150   1.687  0.00  0.00    -0.113 NA
ATOM      5  N   LIG    1       -0.114   1.691   2.457  0.00  0.00    -0.151 NA
ATOM      6  C   LIG    1       -1.391   1.445   2.127  0.00  0.00    +0.181 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.193   0.438   2.994  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -4.180   0.366   1.508  0.00  0.00    +0.113 A 
ATOM      9  N   LIG    1       -3.048   0.381   0.688  0.00  0.00    -0.279 N 
ATOM     10  C   LIG    1       -3.494   0.048  -0.593  0.00  0.00    +0.075 A 
ATOM     11  C   LIG    1       -4.877  -0.048  -0.476  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1       -5.661  -0.339  -1.603  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -5.032  -0.526  -2.838  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -3.648  -0.418  -2.948  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -2.853  -0.124  -1.833  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1       -5.280   0.169   0.808  0.00  0.00    -0.232 NA
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  N   LIG    1        1.528  -0.173  -0.214  0.00  0.00    -0.282 N 
ATOM     18  H   LIG    1        1.072  -0.712  -0.935  0.00  0.00    +0.155 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.927  -0.161  -0.221  0.00  0.00    +0.034 A 
ATOM     20  C   LIG    1        3.709   0.541   0.700  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        5.109   0.512   0.639  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        5.767  -0.219  -0.356  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1        4.994  -0.933  -1.278  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        3.596  -0.899  -1.210  0.00  0.00    +0.024 A 
BRANCH  22  25
ATOM     25  C   LIG    1        7.274  -0.269  -0.409  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1        7.783  -1.303   0.315  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        7.758  -0.425  -1.674  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        7.866   0.857   0.078  0.00  0.00    -0.166 F 
ENDBRANCH  22  25
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 4