REMARK  Name = BDB055812
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.893  -0.128   0.311  0.00  0.00    +0.165 A 
ATOM      2  C   LIG    1        0.346   0.003  -0.971  0.00  0.00    +0.086 A 
ATOM      3 CL   LIG    1        1.010   1.090  -2.136  0.00  0.00    -0.080 Cl
ATOM      4  C   LIG    1       -0.781  -0.739  -1.334  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -1.387  -1.590  -0.409  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.854  -1.716   0.873  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        0.274  -0.976   1.237  0.00  0.00    +0.086 A 
ATOM      8 CL   LIG    1        0.880  -1.143   2.844  0.00  0.00    -0.080 Cl
ENDROOT
BRANCH   5   9
ATOM      9  N   LIG    1       -2.544  -2.317  -0.811  0.00  0.00    -0.216 N 
ATOM     10  H   LIG    1       -2.717  -2.453  -1.809  0.00  0.00    +0.174 HD
BRANCH   9  11
ATOM     11  S   LIG    1       -3.992  -2.171   0.050  0.00  0.00    +0.074 S 
ATOM     12  O   LIG    1       -3.758  -2.622   1.406  0.00  0.00    -0.150 OA
ATOM     13  O   LIG    1       -5.035  -2.766  -0.754  0.00  0.00    -0.150 OA
BRANCH  11  14
ATOM     14  C   LIG    1       -4.279  -0.420   0.106  0.00  0.00    +0.127 A 
ATOM     15  C   LIG    1       -4.466   0.331  -1.059  0.00  0.00    +0.069 A 
ATOM     16 CL   LIG    1       -4.399  -0.331  -2.652  0.00  0.00    -0.081 Cl
ATOM     17  C   LIG    1       -4.693   1.709  -0.962  0.00  0.00    +0.042 A 
ATOM     18  C   LIG    1       -4.734   2.326   0.288  0.00  0.00    +0.042 A 
ATOM     19 CL   LIG    1       -5.008   4.020   0.395  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1       -4.551   1.581   1.450  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -4.325   0.207   1.362  0.00  0.00    +0.032 A 
ENDBRANCH  11  14
ENDBRANCH   9  11
ENDBRANCH   5   9
BRANCH   1  22
ATOM     22  O   LIG    1        1.975   0.627   0.698  0.00  0.00    -0.452 OA
BRANCH  22  26
ATOM     23  C   LIG    1        6.650   1.810   0.016  0.00  0.00    +0.045 C 
ATOM     24  C   LIG    1        5.538   0.810  -0.029  0.00  0.00    -0.029 A 
ATOM     25  C   LIG    1        4.236   1.156   0.343  0.00  0.00    +0.052 A 
ATOM     26  C   LIG    1        3.225   0.197   0.317  0.00  0.00    +0.147 A 
ATOM     27  C   LIG    1        3.571  -1.096  -0.055  0.00  0.00    +0.156 A 
ATOM     28  N   LIG    1        4.822  -1.472  -0.411  0.00  0.00    -0.259 NA
ATOM     29  C   LIG    1        5.774  -0.513  -0.385  0.00  0.00    +0.114 A 
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 5