REMARK  Name = BDB002568
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.378  -2.127   0.238  0.00  0.00    +0.165 C 
ATOM      2  N   LIG    1       -0.789  -2.532  -0.599  0.00  0.00    -0.165 NA
ATOM      3  C   LIG    1       -0.638  -3.955  -0.964  0.00  0.00    +0.110 C 
ATOM      4  C   LIG    1        0.860  -4.192  -0.883  0.00  0.00    +0.019 C 
ATOM      5  C   LIG    1        1.252  -3.381   0.339  0.00  0.00    +0.031 C 
ENDROOT
BRANCH   1   8
ATOM      6  N   LIG    1        2.126  -0.427   0.434  0.00  0.00    -0.301 N 
ATOM      7  H   LIG    1        2.010  -0.579   1.430  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1        1.146  -0.956  -0.389  0.00  0.00    +0.233 C 
ATOM      9  O   LIG    1        0.936  -0.523  -1.519  0.00  0.00    -0.274 OA
BRANCH   6  10
ATOM     10  C   LIG    1        2.788   0.832   0.077  0.00  0.00    +0.179 C 
ATOM     11  C   LIG    1        4.235   0.814   0.548  0.00  0.00    +0.040 C 
BRANCH  10  12
ATOM     12  C   LIG    1        2.041   1.981   0.760  0.00  0.00    +0.327 C 
ATOM     13  O   LIG    1        1.341   1.845   1.760  0.00  0.00    -0.249 OA
BRANCH  12  15
ATOM     14  C   LIG    1        1.681   4.295   0.741  0.00  0.00    +0.280 C 
ATOM     15  O   LIG    1        2.313   3.163   0.143  0.00  0.00    -0.467 OA
ENDBRANCH  12  15
ENDBRANCH  10  12
ENDBRANCH   6  10
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  S   LIG    1       -2.321  -2.063  -0.073  0.00  0.00    +0.062 S 
ATOM     17  O   LIG    1       -3.304  -2.554  -1.014  0.00  0.00    -0.153 OA
ATOM     18  O   LIG    1       -2.407  -2.423   1.328  0.00  0.00    -0.153 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -2.270  -0.281  -0.196  0.00  0.00    +0.109 A 
ATOM     20  C   LIG    1       -2.282   0.375  -1.439  0.00  0.00    -0.023 A 
ATOM     21  C   LIG    1       -2.326  -0.346  -2.757  0.00  0.00    +0.046 C 
ATOM     22  C   LIG    1       -2.281   1.781  -1.446  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -2.254   2.514  -0.254  0.00  0.00    +0.044 A 
ATOM     24 CL   LIG    1       -2.265   4.238  -0.368  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1       -2.229   1.860   0.984  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -2.199   2.615   2.284  0.00  0.00    +0.045 C 
ATOM     27  C   LIG    1       -2.246   0.457   1.001  0.00  0.00    +0.033 A 
ENDBRANCH  16  19
ENDBRANCH   2  16
TORSDOF 6