REMARK  Name = BDB062257
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.617   0.904  -0.231  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -2.558   1.908  -0.079  0.00  0.00    +0.176 A 
ATOM      3  O   LIG    1       -3.769   1.440  -0.498  0.00  0.00    -0.354 OA
ATOM      4  N   LIG    1       -3.649   0.150  -0.958  0.00  0.00    -0.077 NA
ATOM      5  C   LIG    1       -2.359  -0.170  -0.819  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   5   6
ATOM      6  C   LIG    1       -1.893  -1.487  -1.239  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -2.147  -2.622  -0.436  0.00  0.00    +0.065 A 
ATOM      8  C   LIG    1       -1.696  -3.883  -0.874  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -0.995  -4.020  -2.071  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.736  -2.899  -2.853  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1       -1.181  -1.639  -2.444  0.00  0.00    +0.051 A 
ATOM     12 CL   LIG    1       -0.814  -0.299  -3.479  0.00  0.00    -0.083 Cl
BRANCH   7  13
ATOM     13  C   LIG    1       -2.895  -2.518   0.873  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -4.231  -2.325   0.713  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -2.447  -1.518   1.680  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -2.785  -3.653   1.628  0.00  0.00    -0.166 F 
ENDBRANCH   7  13
ENDBRANCH   5   6
BRANCH   2  17
ATOM     17  C   LIG    1       -2.382   3.359   0.462  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -1.222   3.974   0.879  0.00  0.00    +0.094 A 
ATOM     19  N   LIG    1       -1.540   5.254   1.269  0.00  0.00    -0.366 N 
ATOM     20  H   LIG    1       -0.883   5.939   1.622  0.00  0.00    +0.165 HD
ATOM     21  C   LIG    1       -2.882   5.463   1.100  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1       -3.430   4.304   0.598  0.00  0.00    +0.030 A 
ENDBRANCH   2  17
BRANCH   1  23
ATOM     23  C   LIG    1       -0.171   0.941   0.122  0.00  0.00    +0.270 C 
BRANCH  23  24
ATOM     24  O   LIG    1        0.427  -0.359   0.098  0.00  0.00    -0.487 OA
BRANCH  24  28
ATOM     25  C   LIG    1        4.529  -0.894   0.613  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        3.678  -1.950   0.275  0.00  0.00    +0.018 A 
ATOM     27  C   LIG    1        2.309  -1.721   0.114  0.00  0.00    +0.046 A 
ATOM     28  C   LIG    1        1.777  -0.440   0.284  0.00  0.00    +0.121 A 
ATOM     29  C   LIG    1        2.624   0.615   0.626  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        3.997   0.389   0.788  0.00  0.00    +0.018 A 
BRANCH  25  32
ATOM     31  O   LIG    1        6.509  -2.263   0.636  0.00  0.00    -0.245 OA
ATOM     32  C   LIG    1        5.975  -1.178   0.774  0.00  0.00    +0.337 C 
BRANCH  32  33
ATOM     33  O   LIG    1        6.688  -0.086   1.103  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        7.607  -0.420   1.174  0.00  0.00    +0.295 HD
ENDBRANCH  32  33
ENDBRANCH  25  32
ENDBRANCH  24  28
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8