REMARK  Name = BDB021011
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.607   3.456   0.551  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -3.122   3.203   0.497  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -2.701   1.877   0.481  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -1.252   1.665   0.520  0.00  0.00    +0.163 C 
ATOM      5  C   LIG    1       -0.890   0.264   0.178  0.00  0.00    +0.064 A 
ATOM      6  N   LIG    1       -1.830  -0.723   0.011  0.00  0.00    -0.328 N 
ATOM      7  C   LIG    1       -1.195  -1.880  -0.332  0.00  0.00    +0.114 A 
ATOM      8  N   LIG    1        0.104  -1.696  -0.395  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -3.254  -0.504   0.115  0.00  0.00    +0.142 C 
ATOM     10  C   LIG    1        0.315  -0.373  -0.067  0.00  0.00    +0.094 A 
ATOM     11  C   LIG    1       -3.541   0.758   0.919  0.00  0.00    +0.129 C 
ATOM     12  O   LIG    1       -2.335   4.149   0.461  0.00  0.00    -0.276 OA
ENDROOT
BRANCH  10  13
ATOM     13  C   LIG    1        1.646   0.208  -0.061  0.00  0.00    +0.006 A 
ATOM     14  C   LIG    1        2.574  -0.215  -1.019  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1        3.872   0.308  -1.035  0.00  0.00    +0.151 A 
ATOM     16  C   LIG    1        4.277   1.269  -0.096  0.00  0.00    +0.067 A 
ATOM     17  C   LIG    1        3.332   1.713   0.834  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        2.041   1.170   0.874  0.00  0.00    +0.012 A 
BRANCH  16  19
ATOM     19  N   LIG    1        5.495   1.954  -0.207  0.00  0.00    -0.355 N 
ATOM     20  H   LIG    1        6.237   1.435  -0.669  0.00  0.00    +0.142 HD
ATOM     21  H   LIG    1        5.813   2.383   0.656  0.00  0.00    +0.142 HD
ENDBRANCH  16  19
BRANCH  15  22
ATOM     22  O   LIG    1        4.690  -0.117  -2.049  0.00  0.00    -0.404 OA
BRANCH  22  23
ATOM     23  C   LIG    1        5.710  -0.983  -1.569  0.00  0.00    +0.575 C 
ATOM     24  F   LIG    1        6.731  -0.267  -1.043  0.00  0.00    -0.133 F 
ATOM     25  F   LIG    1        6.201  -1.690  -2.612  0.00  0.00    -0.133 F 
ATOM     26  F   LIG    1        5.256  -1.858  -0.647  0.00  0.00    -0.133 F 
ENDBRANCH  22  23
ENDBRANCH  15  22
ENDBRANCH  10  13
BRANCH   7  27
ATOM     27  C   LIG    1       -1.879  -3.239  -0.648  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1       -2.399  -4.078   0.490  0.00  0.00    +0.012 C 
ATOM     29  C   LIG    1       -1.174  -4.513  -0.260  0.00  0.00    +0.012 C 
ENDBRANCH   7  27
TORSDOF 5