REMARK  Name = BDB002258
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.962  -1.082  -0.558  0.00  0.00    +0.129 C 
ATOM      2  C   LIG    1       -1.819  -1.141  -1.589  0.00  0.00    +0.116 C 
ATOM      3 CL   LIG    1       -1.628  -0.278  -3.074  0.00  0.00    -0.073 Cl
ATOM      4 CL   LIG    1       -1.120  -2.038   0.885  0.00  0.00    -0.076 Cl
ENDROOT
BRANCH   1   7
ATOM      5  N   LIG    1        1.374  -0.723  -0.129  0.00  0.00    -0.279 N 
ATOM      6  H   LIG    1        1.317  -1.689   0.176  0.00  0.00    +0.155 HD
ATOM      7  C   LIG    1        0.201  -0.139  -0.571  0.00  0.00    +0.262 C 
ATOM      8  O   LIG    1        0.052   1.025  -0.921  0.00  0.00    -0.269 OA
BRANCH   5  12
ATOM      9  C   LIG    1        5.200   0.863   0.268  0.00  0.00    +0.214 A 
ATOM     10  N   LIG    1        4.972  -0.413   0.639  0.00  0.00    -0.219 NA
ATOM     11  C   LIG    1        3.705  -0.865   0.484  0.00  0.00    +0.138 A 
ATOM     12  C   LIG    1        2.643  -0.113  -0.023  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        2.925   1.198  -0.395  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        4.221   1.696  -0.248  0.00  0.00    +0.069 A 
BRANCH   9  16
ATOM     15  C   LIG    1        7.414   0.492   0.926  0.00  0.00    +0.279 C 
ATOM     16  O   LIG    1        6.463   1.407   0.391  0.00  0.00    -0.480 OA
ENDBRANCH   9  16
ENDBRANCH   5  12
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  S   LIG    1       -3.259  -2.196  -1.526  0.00  0.00    +0.006 S 
ATOM     18  O   LIG    1       -3.461  -2.848  -3.038  0.00  0.00    -0.156 OA
BRANCH  17  19
ATOM     19  C   LIG    1       -4.522  -0.893  -1.312  0.00  0.00    +0.131 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.427  -0.215   0.032  0.00  0.00    -0.036 A 
ATOM     21  C   LIG    1       -4.900  -0.855   1.188  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.774  -0.244   2.438  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1       -4.174   1.009   2.540  0.00  0.00    +0.041 A 
ATOM     24 CL   LIG    1       -4.011   1.755   4.081  0.00  0.00    -0.084 Cl
ATOM     25  C   LIG    1       -3.704   1.659   1.402  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -3.833   1.052   0.151  0.00  0.00    +0.006 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   2  17
TORSDOF 6