REMARK  Name = BDB003538
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.995  -1.787   1.733  0.00  0.00    -0.287 OA
ATOM      2  C   LIG    1        0.989  -0.881   0.906  0.00  0.00    +0.186 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        2.266  -0.246   0.485  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1        3.441  -1.008   0.571  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1        4.670  -0.460   0.195  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        4.719   0.854  -0.257  0.00  0.00    +0.117 A 
ATOM      7  C   LIG    1        3.566   1.628  -0.332  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        2.336   1.083   0.045  0.00  0.00    +0.015 A 
BRANCH   6   9
ATOM      9  O   LIG    1        5.895   1.432  -0.633  0.00  0.00    -0.507 OA
ATOM     10  H   LIG    1        6.612   0.789  -0.509  0.00  0.00    +0.292 HD
ENDBRANCH   6   9
ENDBRANCH   2   3
BRANCH   2  11
ATOM     11  C   LIG    1       -0.269  -0.408   0.267  0.00  0.00    +0.052 C 
ATOM     12  C   LIG    1       -1.452  -0.794   0.767  0.00  0.00    +0.016 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.743  -0.393   0.185  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1       -3.170   0.937   0.034  0.00  0.00    +0.051 A 
ATOM     15 CL   LIG    1       -2.205   2.283   0.542  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1       -4.424   1.228  -0.521  0.00  0.00    +0.021 A 
ATOM     17  C   LIG    1       -5.275   0.198  -0.923  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -4.874  -1.125  -0.765  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1       -3.625  -1.408  -0.213  0.00  0.00    +0.132 A 
ATOM     20  F   LIG    1       -3.275  -2.697  -0.074  0.00  0.00    -0.205 F 
ENDBRANCH  12  13
ENDBRANCH   2  11
TORSDOF 4