REMARK  Name = BDB009231
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.121   2.700  -1.811  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        2.408   1.736  -1.560  0.00  0.00    +0.274 A 
ATOM      3  C   LIG    1        2.372   1.154  -0.216  0.00  0.00    +0.068 A 
ATOM      4  C   LIG    1        1.557   0.067   0.022  0.00  0.00    +0.099 A 
ATOM      5  N   LIG    1        1.456  -0.556   1.225  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1        2.207  -0.047   2.229  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        3.052   1.045   2.083  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        0.747  -0.448  -1.101  0.00  0.00    +0.092 A 
ATOM      9  N   LIG    1        0.782   0.070  -2.296  0.00  0.00    -0.173 NA
ATOM     10  C   LIG    1        3.137   1.657   0.835  0.00  0.00    +0.017 A 
ATOM     11  N   LIG    1        1.607   1.135  -2.503  0.00  0.00    -0.242 N 
ATOM     12  H   LIG    1        1.617   1.526  -3.441  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -0.181  -1.622  -0.846  0.00  0.00    +0.094 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -1.542  -1.176  -0.361  0.00  0.00    -0.040 A 
ATOM     15  C   LIG    1       -1.874  -1.259   1.001  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1       -3.124  -0.827   1.447  0.00  0.00    +0.076 A 
ATOM     17 CL   LIG    1       -3.509  -0.936   3.122  0.00  0.00    -0.081 Cl
ATOM     18  C   LIG    1       -4.044  -0.309   0.538  0.00  0.00    +0.142 A 
ATOM     19  F   LIG    1       -5.250   0.113   0.948  0.00  0.00    -0.204 F 
ATOM     20  C   LIG    1       -3.727  -0.215  -0.813  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -2.477  -0.646  -1.262  0.00  0.00    +0.007 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
TORSDOF 2