REMARK  Name = BDB065407
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.518  -1.347  -1.267  0.00  0.00    -0.224 N 
ATOM      2  C   LIG    1       -1.583  -1.331  -0.262  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1       -1.611  -2.004   0.760  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.492  -0.371  -0.592  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        0.544  -0.206   0.242  0.00  0.00    +0.035 C 
ATOM      6  S   LIG    1       -0.796   0.348  -2.124  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1       -2.291  -0.540  -2.346  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1       -2.982  -0.424  -3.346  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        1.648   0.669   0.028  0.00  0.00    +0.015 A 
ATOM     10  S   LIG    1        3.214   0.150   0.517  0.00  0.00    -0.074 S 
ATOM     11  C   LIG    1        3.987   1.581  -0.030  0.00  0.00    +0.070 A 
ATOM     12  C   LIG    1        3.043   2.469  -0.508  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1        1.715   1.952  -0.481  0.00  0.00    +0.017 A 
BRANCH  11  14
ATOM     14  N   LIG    1        5.315   1.857   0.079  0.00  0.00    -0.309 N 
ATOM     15  H   LIG    1        5.607   2.824  -0.034  0.00  0.00    +0.153 HD
BRANCH  14  16
ATOM     16  C   LIG    1        6.420   0.979   0.127  0.00  0.00    +0.033 A 
ATOM     17  C   LIG    1        7.587   1.416   0.773  0.00  0.00    +0.043 A 
ATOM     18  C   LIG    1        8.699   0.579   0.885  0.00  0.00    +0.043 A 
ATOM     19 CL   LIG    1       10.116   1.145   1.681  0.00  0.00    -0.083 Cl
ATOM     20  C   LIG    1        8.670  -0.710   0.362  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        7.519  -1.161  -0.277  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        6.404  -0.323  -0.388  0.00  0.00    +0.023 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   5   9
BRANCH   1  23
ATOM     23  C   LIG    1       -3.711  -2.162  -1.180  0.00  0.00    +0.152 C 
BRANCH  23  28
ATOM     24  C   LIG    1       -8.046   0.778   1.379  0.00  0.00    +0.044 C 
ATOM     25  C   LIG    1       -6.918   0.039   0.723  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1       -6.038  -0.735   1.487  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1       -5.005  -1.448   0.873  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -4.846  -1.413  -0.519  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -5.731  -0.642  -1.283  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -6.763   0.071  -0.667  0.00  0.00    +0.003 A 
ENDBRANCH  23  28
ENDBRANCH   1  23
TORSDOF 5