REMARK  Name = BDB018978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.657   0.061   0.923  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        1.715   1.020   0.522  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.383   0.606   0.298  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1       -0.043  -0.724   0.471  0.00  0.00    +0.038 A 
ATOM      5  N   LIG    1       -1.399  -1.079   0.243  0.00  0.00    -0.300 N 
ATOM      6  C   LIG    1       -1.698  -2.527   0.269  0.00  0.00    +0.111 C 
ATOM      7  C   LIG    1       -0.977  -3.214   1.417  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        0.522  -3.082   1.211  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.901  -1.649   0.945  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        2.237  -1.259   1.144  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -2.273  -0.419  -0.668  0.00  0.00    +0.036 A 
ATOM     12  C   LIG    1       -3.578  -0.099  -0.256  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1       -4.398   0.532  -1.167  0.00  0.00    +0.092 A 
ATOM     14  C   LIG    1       -3.983   0.844  -2.445  0.00  0.00    +0.157 A 
ATOM     15  O   LIG    1       -4.966   1.473  -3.190  0.00  0.00    -0.407 OA
ATOM     16  C   LIG    1       -6.038   1.540  -2.286  0.00  0.00    +0.421 A 
ATOM     17  O   LIG    1       -7.117   2.040  -2.572  0.00  0.00    -0.223 OA
ATOM     18  C   LIG    1       -2.715   0.541  -2.887  0.00  0.00    +0.050 A 
ATOM     19  N   LIG    1       -5.696   0.974  -1.075  0.00  0.00    -0.277 N 
ATOM     20  C   LIG    1       -6.534   0.869   0.084  0.00  0.00    +0.156 C 
ATOM     21  C   LIG    1       -1.856  -0.099  -1.986  0.00  0.00    +0.027 A 
ENDBRANCH   5  11
BRANCH   1  26
ATOM     22  C   LIG    1        7.339   1.514   0.200  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1        6.129   0.991   0.784  0.00  0.00    -0.274 N 
ATOM     24  N   LIG    1        6.149   0.529   2.049  0.00  0.00    -0.179 NA
ATOM     25  C   LIG    1        4.884   0.157   2.264  0.00  0.00    +0.142 A 
ATOM     26  C   LIG    1        4.057   0.367   1.138  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1        4.907   0.883   0.185  0.00  0.00    +0.116 A 
ENDBRANCH   1  26
BRANCH   2  28
ATOM     28  C   LIG    1        2.058   2.472   0.308  0.00  0.00    +0.372 C 
ATOM     29  F   LIG    1        2.689   2.697  -0.879  0.00  0.00    -0.204 F 
ATOM     30  F   LIG    1        2.856   3.005   1.274  0.00  0.00    -0.204 F 
ENDBRANCH   2  28
TORSDOF 3