REMARK  Name = BDB064961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        3.783  -0.184  -1.327  0.00  0.00    -0.305 N 
ATOM      2  C   LIG    1        2.749   0.555  -0.748  0.00  0.00    +0.259 A 
ATOM      3  O   LIG    1        2.709   1.783  -0.774  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        1.657  -0.245  -0.085  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        1.755  -1.587  -0.067  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        2.869  -2.288  -0.679  0.00  0.00    +0.072 A 
ATOM      7  C   LIG    1        3.832  -1.569  -1.277  0.00  0.00    +0.102 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        0.511   0.411   0.571  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1       -0.808   0.094   0.200  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.942   0.664   0.825  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -1.676   1.576   1.865  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -0.373   1.920   2.237  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        0.715   1.343   1.590  0.00  0.00    +0.009 A 
BRANCH  10  14
ATOM     14  C   LIG    1       -3.449   0.250   0.358  0.00  0.00    +0.056 C 
ATOM     15  C   LIG    1       -4.610   1.270   0.635  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1       -4.365   1.858  -0.774  0.00  0.00    -0.012 C 
ATOM     17  C   LIG    1       -5.594   2.286  -1.551  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -3.736   0.500  -1.168  0.00  0.00    +0.022 C 
BRANCH  14  19
ATOM     19  C   LIG    1       -3.787  -1.221   0.887  0.00  0.00    +0.144 A 
ATOM     20  N   LIG    1       -4.798  -2.085   0.547  0.00  0.00    -0.320 N 
ATOM     21  C   LIG    1       -5.870  -1.935  -0.398  0.00  0.00    +0.151 C 
ATOM     22  C   LIG    1       -4.611  -3.204   1.306  0.00  0.00    +0.224 A 
ATOM     23  N   LIG    1       -3.564  -3.047   2.075  0.00  0.00    -0.138 NA
ATOM     24  N   LIG    1       -3.052  -1.803   1.819  0.00  0.00    -0.134 NA
ENDBRANCH  14  19
ENDBRANCH  10  14
ENDBRANCH   4   8
BRANCH   6  25
ATOM     25  C   LIG    1        2.884  -3.789  -0.607  0.00  0.00    +0.419 C 
ATOM     26  F   LIG    1        3.962  -4.330  -1.231  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        2.907  -4.234   0.674  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        1.785  -4.328  -1.195  0.00  0.00    -0.166 F 
ENDBRANCH   6  25
BRANCH   1  29
ATOM     29  C   LIG    1        4.885   0.550  -1.954  0.00  0.00    +0.222 C 
BRANCH  29  33
ATOM     30  C   LIG    1        7.446   2.395   1.712  0.00  0.00    +0.111 C 
ATOM     31  C   LIG    1        7.150   1.481   0.597  0.00  0.00    +0.214 A 
ATOM     32  O   LIG    1        5.977   1.680  -0.078  0.00  0.00    -0.423 OA
ATOM     33  C   LIG    1        6.025   0.678  -1.011  0.00  0.00    +0.237 A 
ATOM     34  N   LIG    1        7.117  -0.053  -0.921  0.00  0.00    -0.111 NA
ATOM     35  N   LIG    1        7.849   0.471   0.125  0.00  0.00    -0.113 NA
ENDBRANCH  29  33
ENDBRANCH   1  29
TORSDOF 6