REMARK  Name = BDB042795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.501  -4.560   1.145  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -1.920  -3.544   0.782  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -2.592  -2.238   0.797  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -1.872  -1.114   0.407  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -2.457   0.155   0.399  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1       -1.767   1.307   0.002  0.00  0.00    -0.336 N 
ATOM      7  H   LIG    1       -2.082   1.629  -0.916  0.00  0.00    +0.147 HD
ATOM      8  C   LIG    1       -0.294   1.216   0.080  0.00  0.00    +0.121 C 
ATOM      9  C   LIG    1        0.237  -0.065  -0.603  0.00  0.00    +0.096 C 
ATOM     10  C   LIG    1       -3.809   0.260   0.739  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -4.527  -0.870   1.131  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -5.816  -0.743   1.471  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -0.492  -1.298  -0.064  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1        0.081  -2.467  -0.110  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -3.930  -2.122   1.173  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -0.621  -3.548   0.334  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -0.141  -4.442   0.303  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1        1.752  -0.197  -0.491  0.00  0.00    -0.001 A 
ATOM     19  C   LIG    1        2.381  -0.327   0.754  0.00  0.00    +0.129 A 
ATOM     20  F   LIG    1        1.645  -0.315   1.875  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        3.761  -0.449   0.866  0.00  0.00    +0.058 A 
ATOM     22  C   LIG    1        4.537  -0.443  -0.287  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1        6.246  -0.589  -0.168  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        3.939  -0.315  -1.541  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        2.551  -0.193  -1.645  0.00  0.00    +0.008 A 
ENDBRANCH   9  18
BRANCH   8  26
ATOM     26  C   LIG    1        0.266   2.462  -0.591  0.00  0.00    +0.131 C 
ATOM     27  C   LIG    1        0.130   3.801   0.093  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        1.483   3.165  -0.043  0.00  0.00    +0.045 C 
ATOM     29  F   LIG    1        0.119   2.509  -1.976  0.00  0.00    -0.240 F 
ENDBRANCH   8  26
TORSDOF 2