REMARK  Name = BDB063168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.938  -2.196   0.891  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1       -2.377  -0.956   0.381  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1       -3.283   0.090   0.087  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -2.781   1.295  -0.404  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -3.679   2.325  -0.693  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1       -5.039   2.125  -0.485  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1       -5.450   0.898   0.005  0.00  0.00    +0.113 A 
ATOM      8  C   LIG    1       -1.348   1.465  -0.608  0.00  0.00    +0.030 A 
ATOM      9  C   LIG    1       -0.488   0.470  -0.328  0.00  0.00    +0.102 A 
ATOM     10  N   LIG    1       -4.606  -0.116   0.293  0.00  0.00    -0.237 NA
ATOM     11  C   LIG    1       -1.010  -0.830   0.200  0.00  0.00    +0.265 A 
ATOM     12  O   LIG    1       -0.214  -1.737   0.454  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        0.973   0.746  -0.574  0.00  0.00    +0.254 C 
ATOM     14  N   LIG    1        1.817  -0.301  -0.273  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        1.372  -1.150   0.082  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        1.324   1.840  -1.009  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.220  -0.354  -0.392  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        4.009   0.702  -0.857  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        5.398   0.562  -0.943  0.00  0.00    +0.040 A 
ATOM     20  C   LIG    1        5.995  -0.632  -0.564  0.00  0.00    +0.124 A 
ATOM     21  F   LIG    1        7.325  -0.763  -0.648  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        5.230  -1.693  -0.100  0.00  0.00    +0.040 A 
ATOM     23  C   LIG    1        3.843  -1.553  -0.014  0.00  0.00    +0.026 A 
ENDBRANCH  14  17
ENDBRANCH   9  13
TORSDOF 2