REMARK  Name = BDB059786
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.001   0.806   0.437  0.00  0.00    +0.136 A 
ATOM      2  O   LIG    1        1.985  -0.102   0.163  0.00  0.00    -0.454 OA
ATOM      3  C   LIG    1        3.189   0.539   0.253  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1        2.980   1.875   0.588  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        4.092   2.721   0.728  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1        5.364   2.183   0.523  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1        5.553   0.846   0.191  0.00  0.00    +0.055 A 
ATOM      8  F   LIG    1        6.433   2.980   0.652  0.00  0.00    -0.205 F 
ATOM      9  C   LIG    1        4.456  -0.020   0.049  0.00  0.00    +0.082 A 
ATOM     10  C   LIG    1        1.574   2.034   0.709  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -3.042  -0.637   0.318  0.00  0.00    -0.034 A 
ATOM     12  C   LIG    1       -2.739   0.603   0.892  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -1.420   1.070   0.930  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -0.372   0.309   0.396  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -0.682  -0.930  -0.183  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -2.000  -1.399  -0.224  0.00  0.00    +0.005 A 
BRANCH  11  17
ATOM     17  C   LIG    1       -4.468  -1.133   0.278  0.00  0.00    +0.116 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -6.644  -0.811  -0.698  0.00  0.00    +0.101 C 
ATOM     19  N   LIG    1       -5.281  -0.307  -0.613  0.00  0.00    -0.315 NA
ATOM     20  H   LIG    1       -4.858  -0.311  -1.541  0.00  0.00    +0.122 HD
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  21
ATOM     21  C   LIG    1        4.689  -1.438  -0.297  0.00  0.00    +0.245 C 
ATOM     22  O   LIG    1        5.818  -1.862  -0.508  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1        3.608  -2.267  -0.368  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        2.666  -1.950  -0.169  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        3.766  -3.241  -0.582  0.00  0.00    +0.145 HD
ENDBRANCH   9  21
TORSDOF 4