REMARK  Name = BDB036000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.319   0.846   0.529  0.00  0.00    -0.032 A 
ATOM      2  C   LIG    1       -0.154   0.185   0.083  0.00  0.00    +0.028 A 
ATOM      3  C   LIG    1        1.139   0.603   0.442  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        1.257   1.721   1.278  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1        0.126   2.387   1.749  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.145   1.949   1.386  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        2.302  -0.077  -0.022  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        2.339  -1.236  -0.806  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        1.449  -1.939  -1.249  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.754  -1.543  -1.049  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        4.301  -2.585  -1.775  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.691  -2.655  -1.854  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.494  -1.693  -1.213  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        5.923  -0.638  -0.476  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        4.533  -0.585  -0.410  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        3.645   0.397   0.284  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        6.771   0.396   0.214  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        6.533   0.445   1.554  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        8.109   0.193   0.076  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        6.530   1.653  -0.249  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.760   0.376   0.171  0.00  0.00    +0.055 C 
ATOM     22  C   LIG    1       -2.825  -0.742  -0.913  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -2.819  -2.055  -0.142  0.00  0.00    +0.001 C 
ATOM     24  C   LIG    1       -3.684  -1.749   1.066  0.00  0.00    +0.001 C 
ATOM     25  C   LIG    1       -3.303  -0.322   1.458  0.00  0.00    +0.019 C 
BRANCH  21  28
ATOM     26  C   LIG    1       -6.002   0.635  -0.107  0.00  0.00    +0.151 C 
ATOM     27  N   LIG    1       -4.999   1.623  -0.395  0.00  0.00    -0.320 N 
ATOM     28  C   LIG    1       -3.623   1.552  -0.305  0.00  0.00    +0.144 A 
ATOM     29  N   LIG    1       -3.144   2.699  -0.767  0.00  0.00    -0.134 NA
ATOM     30  N   LIG    1       -4.183   3.526  -1.098  0.00  0.00    -0.138 NA
ATOM     31  C   LIG    1       -5.289   2.868  -0.874  0.00  0.00    +0.224 A 
ENDBRANCH  21  28
ENDBRANCH   1  21
TORSDOF 4