REMARK  Name = BDB055793
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.692   0.070   0.746  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.370  -1.041  -0.032  0.00  0.00    +0.048 A 
ATOM      3  C   LIG    1       -0.842  -1.702   0.173  0.00  0.00    +0.086 A 
ATOM      4 CL   LIG    1       -1.206  -3.069  -0.817  0.00  0.00    -0.080 Cl
ATOM      5  C   LIG    1       -1.737  -1.250   1.151  0.00  0.00    +0.165 A 
ATOM      6  C   LIG    1       -1.381  -0.162   1.959  0.00  0.00    +0.086 A 
ATOM      7 CL   LIG    1       -2.402   0.390   3.238  0.00  0.00    -0.080 Cl
ATOM      8  C   LIG    1       -0.168   0.501   1.756  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   9
ATOM      9  N   LIG    1        1.966   0.706   0.557  0.00  0.00    -0.216 N 
ATOM     10  H   LIG    1        1.914   1.698   0.809  0.00  0.00    +0.174 HD
BRANCH   9  12
ATOM     11  O   LIG    1        3.008  -1.353   1.717  0.00  0.00    -0.150 OA
ATOM     12  S   LIG    1        3.212   0.068   1.558  0.00  0.00    +0.074 S 
ATOM     13  O   LIG    1        3.264   0.995   2.667  0.00  0.00    -0.150 OA
BRANCH  12  14
ATOM     14  C   LIG    1        4.675   0.281   0.584  0.00  0.00    +0.127 A 
ATOM     15  C   LIG    1        5.933   0.162   1.178  0.00  0.00    +0.068 A 
ATOM     16 CL   LIG    1        6.177  -0.241   2.838  0.00  0.00    -0.082 Cl
ATOM     17  C   LIG    1        7.084   0.347   0.400  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        6.992   0.650  -0.969  0.00  0.00    +0.056 A 
ATOM     19  C   LIG    1        5.723   0.743  -1.555  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1        4.570   0.561  -0.786  0.00  0.00    +0.031 A 
BRANCH  18  21
ATOM     21  C   LIG    1        8.242   0.823  -1.800  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1        8.057   1.641  -2.872  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        9.277   1.358  -1.096  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        8.694  -0.358  -2.300  0.00  0.00    -0.166 F 
ENDBRANCH  18  21
ENDBRANCH  12  14
ENDBRANCH   9  12
ENDBRANCH   1   9
BRANCH   5  25
ATOM     25  O   LIG    1       -2.910  -1.934   1.364  0.00  0.00    -0.452 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -4.067  -1.401   0.846  0.00  0.00    +0.147 A 
ATOM     27  C   LIG    1       -4.151  -0.500  -0.211  0.00  0.00    +0.057 A 
ATOM     28  C   LIG    1       -5.408  -0.051  -0.645  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -6.558  -0.544   0.010  0.00  0.00    +0.071 A 
ATOM     30  C   LIG    1       -7.801  -0.099  -0.420  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -7.933   0.812  -1.472  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -6.799   1.293  -2.117  0.00  0.00    +0.001 A 
ATOM     33  N   LIG    1       -6.486  -1.423   1.023  0.00  0.00    -0.251 NA
ATOM     34  C   LIG    1       -5.538   0.864  -1.706  0.00  0.00    +0.010 A 
ATOM     35  C   LIG    1       -5.255  -1.833   1.414  0.00  0.00    +0.157 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 6