REMARK  Name = BDB031126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.966  -1.941   1.670  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -1.656  -0.895   1.158  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -2.830  -0.562   1.729  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -3.319  -1.238   2.846  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -2.590  -2.294   3.381  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.396  -2.661   2.776  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        3.226  -0.258  -1.013  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        3.174  -1.607  -0.965  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        2.118  -2.258  -0.262  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1        1.147  -1.459   0.345  0.00  0.00    -0.298 N 
ATOM     11  C   LIG    1        0.235  -2.320   0.937  0.00  0.00    +0.091 A 
ATOM     12  C   LIG    1        0.737  -3.583   0.666  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        1.210  -0.066   0.316  0.00  0.00    +0.097 A 
ATOM     14  N   LIG    1        1.888  -3.539  -0.070  0.00  0.00    -0.235 NA
ATOM     15  C   LIG    1        2.211   0.543  -0.340  0.00  0.00    +0.064 A 
BRANCH   7  16
ATOM     16  O   LIG    1        4.168   0.518  -1.643  0.00  0.00    -0.486 OA
BRANCH  16  17
ATOM     17  C   LIG    1        5.210  -0.152  -2.360  0.00  0.00    +0.300 C 
BRANCH  17  19
ATOM     18  F   LIG    1        7.049   1.287  -2.042  0.00  0.00    -0.206 F 
ATOM     19  C   LIG    1        6.145   0.879  -2.970  0.00  0.00    +0.378 C 
ATOM     20  F   LIG    1        6.861   0.310  -3.974  0.00  0.00    -0.206 F 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   3  21
ATOM     21  N   LIG    1       -3.600   0.500   1.222  0.00  0.00    -0.322 N 
ATOM     22  H   LIG    1       -4.527   0.134   1.015  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.014   1.197   0.054  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -1.969   2.227   0.485  0.00  0.00    +0.201 C 
ATOM     25  F   LIG    1       -1.073   2.403  -0.529  0.00  0.00    -0.242 F 
ATOM     26  C   LIG    1       -2.751   3.530   0.677  0.00  0.00    +0.119 C 
ATOM     27  N   LIG    1       -4.163   3.271   0.311  0.00  0.00    -0.311 NA
ATOM     28  H   LIG    1       -4.635   2.951   1.162  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1       -4.071   2.108  -0.590  0.00  0.00    +0.106 C 
ENDBRANCH  21  23
ENDBRANCH   3  21
TORSDOF 6