REMARK  Name = BDB035651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.659   0.482  -0.847  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        1.236  -0.483  -0.014  0.00  0.00    +0.251 C 
ATOM      3  O   LIG    1        0.744  -1.411   0.600  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.679  -0.216   0.017  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        3.668  -0.892   0.709  0.00  0.00    +0.019 A 
ATOM      6  C   LIG    1        4.992  -0.450   0.570  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1        5.266   0.667  -0.260  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        4.246   1.348  -0.953  0.00  0.00    +0.061 A 
ATOM      9  C   LIG    1        2.945   0.878  -0.795  0.00  0.00    -0.006 A 
ATOM     10  C   LIG    1        1.670   1.379  -1.391  0.00  0.00    +0.150 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1       -3.079  -0.136  -0.920  0.00  0.00    -0.032 A 
ATOM     12  C   LIG    1       -1.697  -0.234  -0.617  0.00  0.00    +0.028 A 
ATOM     13  C   LIG    1       -0.721   0.613  -1.167  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -1.153   1.605  -2.056  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -2.502   1.736  -2.385  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -3.445   0.875  -1.827  0.00  0.00    +0.005 A 
BRANCH  11  17
ATOM     17  C   LIG    1       -4.144  -1.140  -0.256  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1       -3.918  -2.666  -0.568  0.00  0.00    +0.019 C 
ATOM     19  C   LIG    1       -5.446  -2.837  -0.638  0.00  0.00    +0.003 C 
ATOM     20  C   LIG    1       -5.540  -1.333  -0.952  0.00  0.00    +0.019 C 
BRANCH  17  23
ATOM     21  C   LIG    1       -4.859   1.621   1.280  0.00  0.00    +0.151 C 
ATOM     22  N   LIG    1       -4.611   0.350   1.901  0.00  0.00    -0.320 N 
ATOM     23  C   LIG    1       -4.303  -0.841   1.301  0.00  0.00    +0.144 A 
ATOM     24  N   LIG    1       -4.178  -1.761   2.237  0.00  0.00    -0.134 NA
ATOM     25  N   LIG    1       -4.399  -1.167   3.457  0.00  0.00    -0.138 NA
ATOM     26  C   LIG    1       -4.650   0.101   3.238  0.00  0.00    +0.224 A 
ENDBRANCH  17  23
ENDBRANCH  11  17
ENDBRANCH   1  13
BRANCH   8  27
ATOM     27  C   LIG    1        4.539   2.533  -1.832  0.00  0.00    +0.418 C 
ATOM     28  F   LIG    1        5.849   2.898  -1.849  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        4.192   2.307  -3.129  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        3.843   3.640  -1.453  0.00  0.00    -0.166 F 
ENDBRANCH   8  27
BRANCH   6  31
ATOM     31  C   LIG    1        6.108  -1.158   1.317  0.00  0.00    +0.170 C 
BRANCH  31  32
ATOM     32  O   LIG    1        7.192  -1.390   0.413  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1        6.813  -1.847  -0.358  0.00  0.00    +0.210 HD
ENDBRANCH  31  32
BRANCH  31  34
ATOM     34  C   LIG    1        6.615  -0.358   2.527  0.00  0.00    +0.192 C 
BRANCH  34  35
ATOM     35  O   LIG    1        5.640  -0.319   3.565  0.00  0.00    -0.392 OA
ATOM     36  H   LIG    1        6.030   0.181   4.302  0.00  0.00    +0.210 HD
ENDBRANCH  34  35
ENDBRANCH  31  34
ENDBRANCH   6  31
TORSDOF 8