REMARK  Name = BDB054177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.052   0.252   1.166  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.216  -2.119   0.481  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -0.153  -1.263   1.269  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -0.787  -1.631   2.406  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -0.809  -2.610   2.342  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        0.773   0.679   0.009  0.00  0.00    -0.474 OA
BRANCH   6   7
ATOM      7  C   LIG    1        2.111   0.418  -0.086  0.00  0.00    +0.157 A 
ATOM      8  C   LIG    1        2.943  -0.155   0.880  0.00  0.00    +0.166 A 
ATOM      9  F   LIG    1        2.473  -0.522   2.081  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1        4.300  -0.360   0.635  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        4.839   0.012  -0.591  0.00  0.00    +0.044 A 
ATOM     12 CL   LIG    1        6.513  -0.236  -0.900  0.00  0.00    -0.083 Cl
ATOM     13  C   LIG    1        4.032   0.587  -1.569  0.00  0.00    +0.024 A 
ATOM     14  C   LIG    1        2.672   0.789  -1.314  0.00  0.00    +0.050 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1       -1.310   0.977   1.168  0.00  0.00    +0.091 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -2.277   0.536   0.089  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1       -2.104   0.951  -1.239  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1       -2.994   0.536  -2.233  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -4.062  -0.294  -1.903  0.00  0.00    +0.041 A 
ATOM     20 CL   LIG    1       -5.158  -0.804  -3.127  0.00  0.00    -0.084 Cl
ATOM     21  C   LIG    1       -4.249  -0.713  -0.588  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -3.359  -0.299   0.406  0.00  0.00    +0.005 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 6