REMARK  Name = BDB025632
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.008   0.070   0.402  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1        0.070  -0.847   0.313  0.00  0.00    +0.056 A 
ATOM      3  C   LIG    1       -0.161  -2.228   0.336  0.00  0.00    +0.036 A 
ATOM      4  C   LIG    1       -1.463  -2.748   0.449  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1       -2.512  -1.822   0.543  0.00  0.00    +0.133 A 
ATOM      6  F   LIG    1       -3.781  -2.250   0.639  0.00  0.00    -0.205 F 
ATOM      7  C   LIG    1       -2.298  -0.443   0.521  0.00  0.00    +0.064 A 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -3.891   4.193  -0.691  0.00  0.00    +0.105 C 
ATOM      9  N   LIG    1       -2.588   3.627  -0.347  0.00  0.00    -0.302 NA
ATOM     10  C   LIG    1       -2.171   2.625  -1.349  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1       -0.790   2.019  -1.024  0.00  0.00    +0.120 C 
ATOM     12  N   LIG    1       -0.720   1.446   0.343  0.00  0.00    -0.326 N 
ATOM     13  C   LIG    1       -1.293   2.324   1.389  0.00  0.00    +0.120 C 
ATOM     14  C   LIG    1       -2.623   3.005   0.991  0.00  0.00    +0.103 C 
ENDBRANCH   1  12
BRANCH   4  15
ATOM     15  C   LIG    1       -1.704  -4.199   0.469  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -1.048  -5.092  -0.365  0.00  0.00    +0.122 A 
ATOM     17  N   LIG    1       -1.244  -6.430  -0.372  0.00  0.00    -0.243 NA
ATOM     18  C   LIG    1       -2.144  -6.888   0.507  0.00  0.00    +0.221 A 
ATOM     19  N   LIG    1       -2.848  -6.143   1.369  0.00  0.00    -0.243 NA
ATOM     20  C   LIG    1       -2.608  -4.813   1.324  0.00  0.00    +0.122 A 
ENDBRANCH   4  15
BRANCH   2  21
ATOM     21  N   LIG    1        1.356  -0.269   0.230  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1        1.316   0.749   0.267  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        2.570  -0.901   0.155  0.00  0.00    +0.250 C 
ATOM     24  O   LIG    1        2.790  -2.104   0.135  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.710   0.058   0.140  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1        4.070   0.868  -1.018  0.00  0.00    +0.073 A 
ATOM     27  C   LIG    1        5.129   1.698  -0.935  0.00  0.00    +0.083 A 
ATOM     28  C   LIG    1        5.922   1.792   0.316  0.00  0.00    +0.249 A 
ATOM     29  O   LIG    1        6.876   2.552   0.406  0.00  0.00    -0.268 OA
ATOM     30  N   LIG    1        5.512   0.979   1.343  0.00  0.00    -0.328 N 
ATOM     31  H   LIG    1        6.064   1.029   2.193  0.00  0.00    +0.168 HD
ATOM     32  C   LIG    1        4.439   0.126   1.264  0.00  0.00    +0.099 A 
BRANCH  26  33
ATOM     33  C   LIG    1        3.267   0.729  -2.273  0.00  0.00    +0.418 C 
ATOM     34  F   LIG    1        2.012   1.222  -2.113  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        3.146  -0.556  -2.679  0.00  0.00    -0.166 F 
ATOM     36  F   LIG    1        3.812   1.414  -3.313  0.00  0.00    -0.166 F 
ENDBRANCH  26  33
ENDBRANCH  23  25
ENDBRANCH   2  21
TORSDOF 5