REMARK  Name = BDB036882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.554  -1.607   0.558  0.00  0.00    -0.178 NA
ATOM      2  H   LIG    1       -0.539  -1.609   1.581  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   1   9
ATOM      3  O   LIG    1       -4.281   2.305  -0.060  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1       -3.355   1.502  -0.124  0.00  0.00    +0.219 C 
ATOM      5  N   LIG    1       -2.229   1.662   0.644  0.00  0.00    -0.255 N 
ATOM      6  H   LIG    1       -2.276   2.418   1.315  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -1.285   0.699   0.904  0.00  0.00    +0.238 C 
ATOM      8  O   LIG    1       -0.548   0.779   1.885  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1       -1.224  -0.463  -0.082  0.00  0.00    +0.163 C 
ATOM     10  C   LIG    1       -2.642  -0.872  -0.460  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -3.370   0.319  -1.063  0.00  0.00    +0.098 C 
ENDBRANCH   1   9
BRANCH   1  12
ATOM     12  S   LIG    1        0.878  -2.176  -0.107  0.00  0.00    +0.059 S 
ATOM     13  O   LIG    1        0.636  -2.393  -1.516  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1        1.358  -3.225   0.762  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  C   LIG    1        1.979  -0.795   0.059  0.00  0.00    +0.107 A 
ATOM     16  C   LIG    1        2.471  -0.469   1.326  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        3.341   0.609   1.456  0.00  0.00    +0.043 A 
ATOM     18 CL   LIG    1        3.949   1.034   3.008  0.00  0.00    -0.083 Cl
ATOM     19  C   LIG    1        3.728   1.349   0.337  0.00  0.00    +0.020 A 
ATOM     20  C   LIG    1        3.246   1.006  -0.928  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        2.372  -0.071  -1.072  0.00  0.00    +0.028 A 
ENDBRANCH  12  15
ENDBRANCH   1  12
TORSDOF 3