REMARK  Name = BDB050466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.214   0.712  -1.126  0.00  0.00    +0.089 A 
ATOM      2  C   LIG    1        0.380   1.590  -2.199  0.00  0.00    +0.235 A 
ATOM      3  F   LIG    1        1.305   2.559  -2.087  0.00  0.00    -0.182 F 
ATOM      4  N   LIG    1       -0.308   1.534  -3.358  0.00  0.00    -0.226 NA
ATOM      5  C   LIG    1       -1.228   0.550  -3.461  0.00  0.00    +0.119 A 
ATOM      6  C   LIG    1       -1.498  -0.375  -2.455  0.00  0.00    -0.008 A 
ATOM      7  C   LIG    1       -0.744  -0.288  -1.275  0.00  0.00    +0.034 A 
ENDROOT
BRANCH   1  10
ATOM      8  O   LIG    1        0.338  -0.871   1.369  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1        1.058   0.099   1.159  0.00  0.00    +0.222 C 
ATOM     10  N   LIG    1        1.026   0.888   0.021  0.00  0.00    -0.282 N 
ATOM     11  H   LIG    1        1.657   1.684  -0.026  0.00  0.00    +0.155 HD
BRANCH   9  12
ATOM     12  C   LIG    1        2.112   0.564   2.158  0.00  0.00    +0.090 C 
ATOM     13  C   LIG    1        3.517   0.379   1.575  0.00  0.00    +0.097 C 
ATOM     14  N   LIG    1        4.311  -0.151   2.687  0.00  0.00    -0.301 NA
ATOM     15  C   LIG    1        3.401  -1.060   3.390  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1        2.126  -0.236   3.464  0.00  0.00    +0.029 C 
BRANCH  14  17
ATOM     17  C   LIG    1        5.549  -0.816   2.277  0.00  0.00    +0.093 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.593   0.127   1.683  0.00  0.00    +0.128 C 
BRANCH  18  19
ATOM     19  C   LIG    1        7.166   1.092   2.695  0.00  0.00    +0.391 C 
ATOM     20  F   LIG    1        6.255   1.959   3.178  0.00  0.00    -0.171 F 
ATOM     21  F   LIG    1        7.728   0.438   3.736  0.00  0.00    -0.171 F 
ATOM     22  F   LIG    1        8.145   1.830   2.114  0.00  0.00    -0.171 F 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   9  12
ENDBRANCH   1  10
BRANCH   6  23
ATOM     23  C   LIG    1       -2.537  -1.455  -2.640  0.00  0.00    +0.163 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.880  -0.938  -2.908  0.00  0.00    -0.289 N 
ATOM     25  C   LIG    1       -4.718  -0.460  -1.853  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1       -5.985   0.054  -2.159  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1       -6.842   0.542  -1.163  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -6.439   0.515   0.169  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.188   0.005   0.496  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -6.428   0.080  -3.561  0.00  0.00    +0.262 A 
ATOM     31  O   LIG    1       -7.515   0.540  -3.887  0.00  0.00    -0.267 OA
ATOM     32  N   LIG    1       -5.554  -0.437  -4.475  0.00  0.00    -0.274 N 
ATOM     33  H   LIG    1       -5.841  -0.414  -5.442  0.00  0.00    +0.173 HD
ATOM     34  C   LIG    1       -4.334  -0.480  -0.504  0.00  0.00    +0.027 A 
ATOM     35  C   LIG    1       -4.300  -0.916  -4.230  0.00  0.00    +0.330 A 
ATOM     36  O   LIG    1       -3.603  -1.289  -5.173  0.00  0.00    -0.246 OA
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 7