REMARK  Name = BDB002664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.494  -2.444  -0.848  0.00  0.00    +0.211 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        1.897  -3.218  -2.107  0.00  0.00    -0.275 OA
ATOM      3  C   LIG    1        1.621  -2.023  -2.057  0.00  0.00    +0.219 C 
ATOM      4  N   LIG    1        0.429  -1.563  -1.546  0.00  0.00    -0.293 N 
ATOM      5  H   LIG    1        0.330  -0.571  -1.378  0.00  0.00    +0.151 HD
BRANCH   3   6
ATOM      6  C   LIG    1        2.551  -0.956  -2.614  0.00  0.00    +0.131 C 
BRANCH   6   7
ATOM      7  C   LIG    1        2.610   0.307  -1.785  0.00  0.00    -0.039 A 
ATOM      8  C   LIG    1        3.108   0.270  -0.474  0.00  0.00    +0.004 A 
ATOM      9  C   LIG    1        3.127   1.425   0.308  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        2.657   2.628  -0.215  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        2.170   2.678  -1.520  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        2.145   1.523  -2.303  0.00  0.00    +0.004 A 
ENDBRANCH   6   7
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  13
ATOM     13  C   LIG    1       -1.658  -3.025  -1.754  0.00  0.00    +0.225 C 
ATOM     14 CL   LIG    1       -1.067  -3.947  -3.170  0.00  0.00    -0.080 Cl
ATOM     15 CL   LIG    1       -2.672  -1.654  -2.376  0.00  0.00    -0.080 Cl
ATOM     16 CL   LIG    1       -2.749  -4.093  -0.802  0.00  0.00    -0.080 Cl
ENDBRANCH   1  13
BRANCH   1  17
ATOM     17  N   LIG    1       -0.996  -1.630   0.275  0.00  0.00    -0.305 N 
ATOM     18  H   LIG    1       -1.718  -0.971   0.015  0.00  0.00    +0.150 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -0.968  -1.937   1.603  0.00  0.00    +0.136 C 
ATOM     20  S   LIG    1       -0.319  -3.319   2.276  0.00  0.00    -0.019 S 
BRANCH  19  21
ATOM     21  N   LIG    1       -1.565  -1.052   2.454  0.00  0.00    -0.296 N 
ATOM     22  H   LIG    1       -1.758  -1.454   3.370  0.00  0.00    +0.154 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -1.918   0.314   2.328  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1       -2.790   0.868   3.286  0.00  0.00    +0.062 A 
ATOM     25 CL   LIG    1       -3.436  -0.096   4.571  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1       -3.174   2.210   3.219  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -2.676   3.023   2.203  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1       -1.783   2.493   1.275  0.00  0.00    +0.043 A 
ATOM     29 CL   LIG    1       -1.149   3.507   0.038  0.00  0.00    -0.083 Cl
ATOM     30  C   LIG    1       -1.392   1.153   1.340  0.00  0.00    +0.044 A 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 8