REMARK  Name = BDB055822
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.574  -0.015  -1.290  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1        1.577   0.906  -0.233  0.00  0.00    +0.170 A 
ATOM      3  C   LIG    1        0.463   1.045   0.594  0.00  0.00    +0.052 A 
ATOM      4  C   LIG    1       -0.652   0.228   0.404  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -0.657  -0.733  -0.608  0.00  0.00    +0.052 A 
ATOM      6  C   LIG    1        0.448  -0.826  -1.470  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        2.796  -1.071  -3.049  0.00  0.00    +0.277 C 
ATOM      8  O   LIG    1        2.682  -0.024  -2.094  0.00  0.00    -0.491 OA
ENDBRANCH   1   8
BRANCH   5   9
ATOM      9  N   LIG    1       -1.790  -1.544  -0.925  0.00  0.00    -0.216 N 
ATOM     10  H   LIG    1       -1.681  -2.281  -1.621  0.00  0.00    +0.174 HD
BRANCH   9  11
ATOM     11  S   LIG    1       -3.013  -1.925   0.167  0.00  0.00    +0.074 S 
ATOM     12  O   LIG    1       -2.428  -2.001   1.487  0.00  0.00    -0.150 OA
ATOM     13  O   LIG    1       -3.710  -3.041  -0.435  0.00  0.00    -0.150 OA
BRANCH  11  14
ATOM     14  C   LIG    1       -4.134  -0.552   0.111  0.00  0.00    +0.127 A 
ATOM     15  C   LIG    1       -5.148  -0.437   1.068  0.00  0.00    +0.069 A 
ATOM     16 CL   LIG    1       -5.431  -1.600   2.312  0.00  0.00    -0.081 Cl
ATOM     17  C   LIG    1       -6.019   0.659   1.027  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -5.882   1.625   0.033  0.00  0.00    +0.042 A 
ATOM     19 CL   LIG    1       -6.955   2.967  -0.011  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -4.885   1.506  -0.933  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -4.013   0.416  -0.899  0.00  0.00    +0.032 A 
ENDBRANCH  11  14
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   2  22
ATOM     22  O   LIG    1        2.632   1.762  -0.005  0.00  0.00    -0.451 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.819   1.198   0.399  0.00  0.00    +0.148 A 
ATOM     24  C   LIG    1        3.924   0.087   1.236  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        5.189  -0.368   1.593  0.00  0.00    +0.063 A 
ATOM     26 CL   LIG    1        5.367  -1.739   2.611  0.00  0.00    -0.082 Cl
ATOM     27  C   LIG    1        6.303   0.310   1.116  0.00  0.00    +0.131 A 
ATOM     28  N   LIG    1        6.235   1.402   0.316  0.00  0.00    -0.258 NA
ATOM     29  C   LIG    1        4.990   1.820  -0.019  0.00  0.00    +0.157 A 
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 6