REMARK  Name = BDB053852
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.869  -0.642  -0.469  0.00  0.00    +0.125 C 
ATOM      2  C   LIG    1       -1.934  -0.593   0.672  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -2.579  -1.978   0.917  0.00  0.00    +0.055 C 
ATOM      4  C   LIG    1       -2.971  -2.711  -0.362  0.00  0.00    +0.084 C 
ATOM      5  N   LIG    1       -1.854  -2.803  -1.295  0.00  0.00    -0.315 NA
ATOM      6  H   LIG    1       -1.100  -3.343  -0.862  0.00  0.00    +0.122 HD
ATOM      7  C   LIG    1       -1.361  -1.472  -1.660  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -2.930   0.559   0.416  0.00  0.00    -0.012 A 
ATOM      9  C   LIG    1       -4.303   0.372   0.190  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -5.146   1.462  -0.035  0.00  0.00    +0.159 A 
ATOM     11  F   LIG    1       -6.451   1.243  -0.253  0.00  0.00    -0.202 F 
ATOM     12  C   LIG    1       -4.650   2.757  -0.030  0.00  0.00    +0.158 A 
ATOM     13  F   LIG    1       -5.466   3.797  -0.247  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1       -3.304   2.982   0.209  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1       -2.456   1.894   0.435  0.00  0.00    +0.009 A 
ENDBRANCH   2   8
BRANCH   1  17
ATOM     16  O   LIG    1        0.503  -2.067   0.886  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        0.476  -1.192   0.014  0.00  0.00    +0.223 C 
ATOM     18  N   LIG    1        1.649  -0.691  -0.562  0.00  0.00    -0.294 N 
BRANCH  18  19
ATOM     19  C   LIG    1        1.685   0.492  -1.396  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1        1.292   0.461  -2.851  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1        2.717   0.707  -2.476  0.00  0.00    +0.024 C 
ENDBRANCH  18  19
BRANCH  18  22
ATOM     22  C   LIG    1        2.935  -1.159  -0.014  0.00  0.00    +0.144 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.566  -0.171   0.952  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1        4.834   0.413   0.747  0.00  0.00    +0.064 A 
ATOM     25 CL   LIG    1        5.778   0.002  -0.651  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        5.346   1.326   1.687  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1        6.887   2.094   1.498  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        4.614   1.652   2.832  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        3.373   1.067   3.052  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        2.858   0.163   2.125  0.00  0.00    +0.007 A 
ENDBRANCH  22  23
ENDBRANCH  18  22
ENDBRANCH   1  17
BRANCH   2  31
ATOM     31  O   LIG    1       -1.302  -0.203   1.911  0.00  0.00    -0.383 OA
ATOM     32  H   LIG    1       -0.739  -0.953   2.190  0.00  0.00    +0.211 HD
ENDBRANCH   2  31
TORSDOF 6