REMARK  Name = BDB018171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.650   0.374  -0.115  0.00  0.00    +0.256 C 
ATOM      2  N   LIG    1        0.263   0.068   0.886  0.00  0.00    -0.283 N 
ATOM      3  H   LIG    1       -0.129  -0.008   1.821  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.383   0.620  -1.286  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.663  -0.033   0.778  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        2.366   0.068  -0.425  0.00  0.00    +0.037 A 
ATOM      7  C   LIG    1        3.773  -0.048  -0.466  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1        4.464  -0.269   0.729  0.00  0.00    +0.053 A 
ATOM      9 CL   LIG    1        6.182  -0.424   0.786  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1        3.768  -0.375   1.935  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1        2.377  -0.259   1.959  0.00  0.00    +0.025 A 
BRANCH   7  12
ATOM     12  C   LIG    1        4.498   0.067  -1.781  0.00  0.00    +0.419 C 
ATOM     13  F   LIG    1        3.665   0.277  -2.841  0.00  0.00    -0.166 F 
ATOM     14  F   LIG    1        5.202  -1.055  -2.097  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        5.385   1.099  -1.811  0.00  0.00    -0.166 F 
ENDBRANCH   7  12
ENDBRANCH   2   5
BRANCH   1  18
ATOM     16  N   LIG    1       -4.379   0.403  -0.325  0.00  0.00    -0.266 N 
ATOM     17  C   LIG    1       -3.068   1.130  -0.420  0.00  0.00    +0.166 C 
ATOM     18  C   LIG    1       -2.084   0.295   0.397  0.00  0.00    +0.204 C 
ATOM     19  F   LIG    1       -2.157   0.662   1.717  0.00  0.00    -0.230 F 
ATOM     20  C   LIG    1       -2.643  -1.113   0.282  0.00  0.00    +0.071 C 
ATOM     21  C   LIG    1       -4.142  -0.878   0.389  0.00  0.00    +0.120 C 
BRANCH  16  23
ATOM     22  N   LIG    1       -6.604   1.523  -0.477  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1       -5.573   1.003  -0.413  0.00  0.00    +0.169 C 
ENDBRANCH  16  23
ENDBRANCH   1  18
TORSDOF 4