REMARK  Name = BDB052865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.483  -2.543  -2.925  0.00  0.00    +0.141 C 
ATOM      2  N   LIG    1        2.195  -1.531  -1.935  0.00  0.00    -0.245 N 
ATOM      3  C   LIG    1        3.071  -0.713  -1.329  0.00  0.00    +0.183 C 
ATOM      4  N   LIG    1        2.607   0.057  -0.400  0.00  0.00    -0.230 NA
ATOM      5  C   LIG    1        1.126  -0.225  -0.313  0.00  0.00    +0.191 C 
ATOM      6  C   LIG    1        0.973  -1.370  -1.349  0.00  0.00    +0.258 C 
ATOM      7  O   LIG    1       -0.031  -2.029  -1.595  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1        0.726  -0.711   1.095  0.00  0.00    -0.003 A 
ATOM      9  C   LIG    1       -0.585  -1.168   1.345  0.00  0.00    +0.055 A 
ATOM     10  C   LIG    1       -0.963  -1.624   2.610  0.00  0.00    +0.156 A 
ATOM     11  C   LIG    1       -0.043  -1.575   3.654  0.00  0.00    +0.165 A 
ATOM     12  F   LIG    1       -0.390  -1.987   4.883  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1        1.252  -1.117   3.441  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1        1.637  -0.691   2.168  0.00  0.00    +0.010 A 
BRANCH  10  15
ATOM     15  O   LIG    1       -2.228  -2.058   2.898  0.00  0.00    -0.483 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -2.761  -3.021   1.975  0.00  0.00    +0.301 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.000  -2.489   1.268  0.00  0.00    +0.378 C 
ATOM     18  F   LIG    1       -4.947  -2.121   2.166  0.00  0.00    -0.206 F 
ATOM     19  F   LIG    1       -3.705  -1.391   0.528  0.00  0.00    -0.206 F 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  10  15
ENDBRANCH   5   8
BRANCH   5  20
ATOM     20  C   LIG    1        0.357   1.056  -0.692  0.00  0.00    -0.007 A 
ATOM     21  C   LIG    1        0.787   2.296  -0.183  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        0.108   3.485  -0.478  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1       -1.031   3.456  -1.278  0.00  0.00    +0.127 A 
ATOM     24  C   LIG    1       -1.468   2.236  -1.795  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -0.791   1.048  -1.500  0.00  0.00    +0.010 A 
BRANCH  23  26
ATOM     26  O   LIG    1       -1.780   4.539  -1.642  0.00  0.00    -0.434 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -1.668   5.679  -0.807  0.00  0.00    +0.541 C 
ATOM     28  F   LIG    1       -2.663   6.534  -1.154  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1       -0.501   6.316  -1.078  0.00  0.00    -0.166 F 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   5  20
BRANCH   3  30
ATOM     30  N   LIG    1        4.381  -0.690  -1.670  0.00  0.00    -0.331 N 
ATOM     31  H   LIG    1        4.595  -0.843  -2.647  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1        4.860   0.121  -1.291  0.00  0.00    +0.145 HD
ENDBRANCH   3  30
TORSDOF 8