REMARK  Name = BDB035248
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.390   0.516  -2.411  0.00  0.00    -0.214 N 
ATOM      2  H   LIG    1        1.419   1.527  -2.517  0.00  0.00    +0.174 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.084  -0.097  -1.335  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        2.112   0.492  -0.057  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        2.718  -0.130   1.050  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1        2.520   0.753   2.159  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        1.821   1.851   1.716  0.00  0.00    +0.103 A 
ATOM      8 CL   LIG    1        3.024   0.532   3.769  0.00  0.00    -0.081 Cl
ATOM      9  C   LIG    1        3.323  -1.387   0.820  0.00  0.00    +0.052 A 
ATOM     10 CL   LIG    1        4.071  -2.181   2.135  0.00  0.00    -0.083 Cl
ATOM     11  C   LIG    1        3.309  -1.986  -0.441  0.00  0.00    +0.022 A 
ATOM     12  N   LIG    1        1.586   1.689   0.381  0.00  0.00    -0.358 N 
ATOM     13  H   LIG    1        1.085   2.349  -0.198  0.00  0.00    +0.165 HD
ATOM     14  C   LIG    1        2.688  -1.345  -1.506  0.00  0.00    +0.028 A 
ENDBRANCH   1   3
BRANCH   1  15
ATOM     15  S   LIG    1       -0.057  -0.170  -2.953  0.00  0.00    +0.072 S 
ATOM     16  O   LIG    1        0.206  -1.500  -3.455  0.00  0.00    -0.150 OA
ATOM     17  O   LIG    1       -0.699   0.837  -3.770  0.00  0.00    -0.150 OA
BRANCH  15  24
ATOM     18  O   LIG    1       -2.776   2.900   0.878  0.00  0.00    -0.292 OA
ATOM     19  C   LIG    1       -2.815   1.712   1.145  0.00  0.00    +0.164 C 
ATOM     20  C   LIG    1       -2.215   0.683   0.311  0.00  0.00    +0.022 A 
ATOM     21  C   LIG    1       -2.373  -0.544   0.945  0.00  0.00    -0.036 A 
ATOM     22  C   LIG    1       -1.851  -1.692   0.369  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -1.158  -1.577  -0.841  0.00  0.00    +0.029 A 
ATOM     24  C   LIG    1       -1.003  -0.317  -1.454  0.00  0.00    +0.109 A 
ATOM     25  C   LIG    1       -3.116  -0.425   2.238  0.00  0.00    +0.043 C 
ATOM     26  C   LIG    1       -1.557   0.836  -0.893  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1       -3.445   1.075   2.357  0.00  0.00    +0.084 C 
ENDBRANCH  15  24
ENDBRANCH   1  15
TORSDOF 3