REMARK  Name = BDB055790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.792   0.461  -1.909  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        1.341   0.031  -0.663  0.00  0.00    +0.066 A 
ATOM      3  C   LIG    1        0.043   0.334  -0.268  0.00  0.00    +0.167 A 
ATOM      4  F   LIG    1       -0.371  -0.068   0.942  0.00  0.00    -0.202 F 
ATOM      5  C   LIG    1       -0.810   1.054  -1.107  0.00  0.00    +0.164 A 
ATOM      6  C   LIG    1       -0.345   1.513  -2.339  0.00  0.00    +0.051 A 
ATOM      7  C   LIG    1        0.958   1.212  -2.743  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1        3.131   0.205  -2.310  0.00  0.00    -0.216 N 
ATOM      9  H   LIG    1        3.299  -0.071  -3.278  0.00  0.00    +0.174 HD
BRANCH   8  11
ATOM     10  O   LIG    1        3.763   2.566  -1.584  0.00  0.00    -0.150 OA
ATOM     11  S   LIG    1        4.343   1.252  -1.766  0.00  0.00    +0.074 S 
ATOM     12  O   LIG    1        5.485   1.070  -2.634  0.00  0.00    -0.150 OA
BRANCH  11  13
ATOM     13  C   LIG    1        4.769   0.604  -0.173  0.00  0.00    +0.127 A 
ATOM     14  C   LIG    1        5.277  -0.689  -0.015  0.00  0.00    +0.069 A 
ATOM     15 CL   LIG    1        5.513  -1.800  -1.315  0.00  0.00    -0.081 Cl
ATOM     16  C   LIG    1        5.604  -1.148   1.267  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1        5.426  -0.321   2.375  0.00  0.00    +0.042 A 
ATOM     18 CL   LIG    1        5.830  -0.897   3.944  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1        4.921   0.967   2.221  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        4.593   1.433   0.947  0.00  0.00    +0.032 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   1   8
BRANCH   5  21
ATOM     21  O   LIG    1       -2.087   1.403  -0.738  0.00  0.00    -0.452 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -2.948   0.380  -0.431  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1       -3.826   0.575   0.627  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1       -4.750  -0.426   0.959  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -4.763  -1.605   0.180  0.00  0.00    +0.071 A 
ATOM     26  C   LIG    1       -5.677  -2.597   0.509  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -6.569  -2.452   1.576  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.553  -1.289   2.338  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1       -3.930  -1.791  -0.860  0.00  0.00    -0.251 NA
ATOM     30  C   LIG    1       -5.646  -0.277   2.032  0.00  0.00    +0.010 A 
ATOM     31  C   LIG    1       -3.049  -0.802  -1.148  0.00  0.00    +0.157 A 
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 5