REMARK  Name = BDB002492
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.201   1.672  -0.513  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -0.213   0.606  -0.063  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -1.575   0.340   0.032  0.00  0.00    -0.283 N 
ATOM      4  C   LIG    1       -2.496   1.457  -0.205  0.00  0.00    +0.140 C 
ATOM      5  C   LIG    1       -3.913   1.201   0.325  0.00  0.00    +0.132 C 
ATOM      6  C   LIG    1       -4.510  -0.093  -0.233  0.00  0.00    +0.034 C 
ATOM      7  C   LIG    1       -3.454  -1.150  -0.566  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -2.169  -0.982   0.237  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1        0.592  -0.408   0.405  0.00  0.00    -0.269 N 
ATOM     10  H   LIG    1        0.148  -1.016   1.076  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1        1.994  -0.500   0.310  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        2.768   0.296  -0.540  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        4.170   0.152  -0.606  0.00  0.00    +0.075 A 
ATOM     14  C   LIG    1        4.784  -0.815   0.197  0.00  0.00    +0.053 A 
ATOM     15 CL   LIG    1        6.491  -1.069   0.192  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        4.016  -1.623   1.039  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        2.629  -1.469   1.091  0.00  0.00    +0.025 A 
BRANCH  13  18
ATOM     18  C   LIG    1        4.972   1.028  -1.530  0.00  0.00    +0.419 C 
ATOM     19  F   LIG    1        4.210   1.903  -2.249  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.670   0.318  -2.460  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        5.883   1.800  -0.876  0.00  0.00    -0.166 F 
ENDBRANCH  13  18
ENDBRANCH   9  11
BRANCH   5  22
ATOM     22  O   LIG    1       -3.878   1.116   1.755  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1       -4.798   1.127   2.070  0.00  0.00    +0.210 HD
ENDBRANCH   5  22
TORSDOF 3