REMARK  Name = BDB059608
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.433   0.243   0.251  0.00  0.00    -0.216 N 
ATOM      2  H   LIG    1       -0.361   1.051   0.873  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        3.218   0.082  -0.456  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        1.971   0.586  -0.074  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.862  -0.259  -0.105  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.989  -1.578  -0.543  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1        2.236  -2.058  -0.940  0.00  0.00    +0.045 A 
ATOM      8 CL   LIG    1        2.394  -3.686  -1.474  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        3.359  -1.235  -0.902  0.00  0.00    +0.047 A 
BRANCH   3  11
ATOM     10  C   LIG    1        5.533   0.587   1.012  0.00  0.00    +0.200 C 
ATOM     11  S   LIG    1        4.646   1.136  -0.422  0.00  0.00    -0.006 S 
ATOM     12  O   LIG    1        4.185   2.487  -0.166  0.00  0.00    -0.170 OA
ATOM     13  O   LIG    1        5.435   0.822  -1.597  0.00  0.00    -0.170 OA
ENDBRANCH   3  11
ENDBRANCH   1   5
BRANCH   1  14
ATOM     14  S   LIG    1       -1.372   0.763  -1.081  0.00  0.00    +0.076 S 
ATOM     15  O   LIG    1       -1.178   2.199  -1.124  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1       -1.143  -0.061  -2.246  0.00  0.00    -0.150 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.026   0.467  -0.517  0.00  0.00    +0.152 A 
ATOM     18  C   LIG    1       -3.463  -0.821  -0.210  0.00  0.00    +0.162 A 
ATOM     19  C   LIG    1       -4.784  -1.015   0.212  0.00  0.00    +0.085 A 
ATOM     20 CL   LIG    1       -5.349  -2.599   0.601  0.00  0.00    -0.080 Cl
ATOM     21  C   LIG    1       -5.662   0.062   0.330  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1       -5.214   1.344   0.019  0.00  0.00    +0.021 A 
ATOM     23 BR   LIG    1       -6.396   2.810   0.173  0.00  0.00    -0.050 Br
ATOM     24  C   LIG    1       -3.903   1.556  -0.405  0.00  0.00    +0.048 A 
BRANCH  18  25
ATOM     25  O   LIG    1       -2.615  -1.889  -0.312  0.00  0.00    -0.503 OA
ATOM     26  H   LIG    1       -3.123  -2.702  -0.127  0.00  0.00    +0.292 HD
ENDBRANCH  18  25
ENDBRANCH  14  17
ENDBRANCH   1  14
TORSDOF 5