REMARK  Name = BDB059560
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.214  -2.514   0.446  0.00  0.00    -0.213 N 
ATOM      2  H   LIG    1        0.671  -2.425   1.359  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   5
ATOM      3  C   LIG    1        1.593   0.651  -0.924  0.00  0.00    +0.132 A 
ATOM      4  C   LIG    1        1.203  -0.335  -0.018  0.00  0.00    +0.164 A 
ATOM      5  C   LIG    1        0.657  -1.534  -0.500  0.00  0.00    +0.093 A 
ATOM      6  C   LIG    1        0.493  -1.741  -1.869  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        0.868  -0.739  -2.761  0.00  0.00    +0.045 A 
ATOM      8 CL   LIG    1        0.663  -0.982  -4.451  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1        1.411   0.460  -2.299  0.00  0.00    +0.050 A 
BRANCH   3  11
ATOM     10  C   LIG    1        4.016   2.021  -0.725  0.00  0.00    +0.200 C 
ATOM     11  S   LIG    1        2.284   2.184  -0.378  0.00  0.00    -0.002 S 
ATOM     12  O   LIG    1        2.113   2.214   1.066  0.00  0.00    -0.170 OA
ATOM     13  O   LIG    1        1.734   3.229  -1.215  0.00  0.00    -0.170 OA
ENDBRANCH   3  11
BRANCH   4  14
ATOM     14  O   LIG    1        1.307  -0.223   1.346  0.00  0.00    -0.503 OA
ATOM     15  H   LIG    1        1.533   0.704   1.596  0.00  0.00    +0.292 HD
ENDBRANCH   4  14
ENDBRANCH   1   5
BRANCH   1  16
ATOM     16  S   LIG    1       -1.455  -2.708   0.651  0.00  0.00    +0.076 S 
ATOM     17  O   LIG    1       -2.046  -3.093  -0.617  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -1.648  -3.505   1.842  0.00  0.00    -0.150 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -2.027  -1.068   1.003  0.00  0.00    +0.152 A 
ATOM     20  C   LIG    1       -2.605  -0.267   0.011  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1       -2.991   1.040   0.339  0.00  0.00    +0.085 A 
ATOM     22 CL   LIG    1       -3.678   2.096  -0.843  0.00  0.00    -0.080 Cl
ATOM     23  C   LIG    1       -2.829   1.528   1.638  0.00  0.00    +0.039 A 
ATOM     24  C   LIG    1       -2.280   0.706   2.619  0.00  0.00    +0.021 A 
ATOM     25 BR   LIG    1       -2.059   1.363   4.377  0.00  0.00    -0.050 Br
ATOM     26  C   LIG    1       -1.883  -0.592   2.314  0.00  0.00    +0.048 A 
BRANCH  20  27
ATOM     27  O   LIG    1       -2.793  -0.685  -1.279  0.00  0.00    -0.503 OA
ATOM     28  H   LIG    1       -2.713  -1.661  -1.355  0.00  0.00    +0.292 HD
ENDBRANCH  20  27
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6