REMARK  Name = BDB047877
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.855  -0.732  -0.916  0.00  0.00    -0.458 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.193  -1.932  -0.367  0.00  0.00    +0.345 C 
ATOM      3  O   LIG    1       -2.490  -2.928  -1.019  0.00  0.00    -0.245 OA
BRANCH   2   6
ATOM      4  C   LIG    1       -2.608  -4.421   1.683  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1       -2.389  -2.979   1.910  0.00  0.00    +0.149 A 
ATOM      6  C   LIG    1       -2.198  -1.893   1.080  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1       -2.016  -0.803   1.987  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -2.116  -1.214   3.261  0.00  0.00    -0.077 NA
ATOM      9  O   LIG    1       -2.341  -2.575   3.206  0.00  0.00    -0.358 OA
BRANCH   7  10
ATOM     10  C   LIG    1       -1.777   0.606   1.694  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -0.494   1.167   1.834  0.00  0.00    +0.052 A 
ATOM     12 CL   LIG    1        0.875   0.247   2.369  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1       -0.269   2.517   1.531  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1       -1.317   3.326   1.097  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.594   2.787   0.963  0.00  0.00    +0.021 A 
ATOM     16  C   LIG    1       -2.825   1.437   1.257  0.00  0.00    +0.052 A 
ATOM     17 CL   LIG    1       -4.444   0.855   1.048  0.00  0.00    -0.083 Cl
ENDBRANCH   7  10
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.774  -0.673  -2.352  0.00  0.00    +0.273 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -0.592   0.232  -2.703  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  O   LIG    1        0.616  -0.513  -2.476  0.00  0.00    -0.486 OA
BRANCH  20  21
ATOM     21  C   LIG    1        1.620   0.148  -1.828  0.00  0.00    +0.151 A 
ATOM     22  C   LIG    1        2.407  -0.553  -0.907  0.00  0.00    +0.168 A 
ATOM     23  C   LIG    1        3.495   0.048  -0.255  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        3.812   1.387  -0.526  0.00  0.00    +0.057 A 
ATOM     25  C   LIG    1        3.033   2.089  -1.464  0.00  0.00    +0.016 A 
ATOM     26  C   LIG    1        1.957   1.473  -2.117  0.00  0.00    +0.048 A 
BRANCH  24  27
ATOM     27  C   LIG    1        4.965   2.079   0.166  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        5.675   1.265   0.994  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        5.863   2.593  -0.719  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        4.548   3.126   0.930  0.00  0.00    -0.166 F 
ENDBRANCH  24  27
BRANCH  22  31
ATOM     31  N   LIG    1        2.099  -1.938  -0.590  0.00  0.00    +0.060 N 
ATOM     32  O   LIG    1        3.027  -2.756  -0.689  0.00  0.00    -0.126 OA
ATOM     33  O   LIG    1        0.948  -2.197  -0.207  0.00  0.00    -0.126 OA
ENDBRANCH  22  31
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9