REMARK  Name = BDB036532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.017   0.108  -1.006  0.00  0.00    +0.142 A 
ATOM      2  C   LIG    1        3.326   0.533   0.316  0.00  0.00    +0.078 A 
ATOM      3  C   LIG    1        2.330   1.119   1.113  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        1.065   1.247   0.544  0.00  0.00    +0.171 A 
ATOM      5  C   LIG    1        0.731   0.837  -0.731  0.00  0.00    +0.068 A 
ATOM      6  C   LIG    1       -0.646   1.168  -0.844  0.00  0.00    +0.188 A 
ATOM      7  N   LIG    1       -1.102   1.736   0.276  0.00  0.00    -0.061 NA
ATOM      8  O   LIG    1       -0.026   1.789   1.143  0.00  0.00    -0.353 OA
ATOM      9  C   LIG    1        1.724   0.254  -1.538  0.00  0.00    +0.062 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        3.834  -0.912  -3.013  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        4.082  -0.433  -1.696  0.00  0.00    -0.493 OA
ENDBRANCH   1  11
BRANCH   2  12
ATOM     12  N   LIG    1        4.644   0.302   0.793  0.00  0.00    -0.297 N 
ATOM     13  H   LIG    1        5.293   0.215   0.007  0.00  0.00    +0.154 HD
BRANCH  12  14
ATOM     14  C   LIG    1        5.119   0.238   2.056  0.00  0.00    +0.120 A 
ATOM     15  N   LIG    1        4.364  -0.109   3.147  0.00  0.00    -0.263 N 
ATOM     16  H   LIG    1        3.386  -0.368   3.163  0.00  0.00    +0.190 HD
ATOM     17  N   LIG    1        5.052  -0.132   4.303  0.00  0.00    -0.161 NA
ATOM     18  C   LIG    1        6.295   0.164   3.920  0.00  0.00    +0.153 A 
ATOM     19 CL   LIG    1        7.563   0.237   5.040  0.00  0.00    -0.060 Cl
ATOM     20  C   LIG    1        6.401   0.383   2.536  0.00  0.00    +0.085 A 
ENDBRANCH  12  14
ENDBRANCH   2  12
BRANCH   6  21
ATOM     21  N   LIG    1       -1.419   0.916  -1.969  0.00  0.00    -0.196 N 
ATOM     22  H   LIG    1       -1.065   0.307  -2.698  0.00  0.00    +0.175 HD
BRANCH  21  23
ATOM     23  S   LIG    1       -3.086   1.078  -2.018  0.00  0.00    +0.081 S 
ATOM     24  O   LIG    1       -3.381   2.476  -1.784  0.00  0.00    -0.150 OA
ATOM     25  O   LIG    1       -3.500   0.440  -3.254  0.00  0.00    -0.150 OA
BRANCH  23  26
ATOM     26  C   LIG    1       -3.674   0.061  -0.695  0.00  0.00    +0.191 A 
ATOM     27  C   LIG    1       -4.604   0.535   0.235  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -5.037  -0.294   1.278  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1       -4.523  -1.582   1.415  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -3.603  -2.063   0.487  0.00  0.00    +0.048 A 
ATOM     31  C   LIG    1       -3.202  -1.256  -0.583  0.00  0.00    +0.150 A 
BRANCH  27  32
ATOM     32  O   LIG    1       -5.206   1.754   0.094  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -4.747   2.678   1.083  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
BRANCH  31  34
ATOM     34  O   LIG    1       -2.297  -1.760  -1.485  0.00  0.00    -0.493 OA
ATOM     35  C   LIG    1       -2.903  -2.766  -2.303  0.00  0.00    +0.277 C 
ENDBRANCH  31  34
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 8