REMARK  Name = BDB028711
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.322  -0.710  -0.763  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.839  -0.150  -0.169  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.287  -1.147   0.676  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.419  -1.052   1.481  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        3.135   0.157   1.420  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1        2.691   1.195   0.569  0.00  0.00    +0.053 A 
ATOM      7  O   LIG    1        0.453  -2.215   0.596  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.552   1.060  -0.246  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.563  -1.941  -0.304  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.106  -0.041  -1.692  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -0.922   0.948  -1.848  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.623  -0.539  -2.184  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -2.454  -1.817  -2.845  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.197   0.583  -2.904  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.537   0.331   0.252  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.550  -0.712  -0.686  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.308  -1.857  -0.422  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -5.026  -1.962   0.776  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.967  -0.945   1.727  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.219   0.201   1.467  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.677   2.584  -0.230  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.812   1.474   0.031  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.476  -2.844  -1.353  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.750  -4.022  -0.995  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        1.068   2.028  -1.085  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        1.996   3.029  -1.496  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.373   0.334   2.284  0.00  0.00    +0.179 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.535   0.332   1.361  0.00  0.00    +0.044 A 
ATOM     29  C   LIG    1        6.036  -0.701   0.600  0.00  0.00    +0.236 A 
ATOM     30  O   LIG    1        7.119  -0.281  -0.100  0.00  0.00    -0.363 OA
ATOM     31  N   LIG    1        7.367   1.048   0.195  0.00  0.00    -0.086 NA
ATOM     32  C   LIG    1        6.424   1.394   1.073  0.00  0.00    +0.163 A 
ENDBRANCH  27  28
BRANCH  27  33
ATOM     33  O   LIG    1        4.272   1.543   3.029  0.00  0.00    -0.382 OA
ATOM     34  H   LIG    1        3.357   1.601   3.352  0.00  0.00    +0.211 HD
ENDBRANCH  27  33
ENDBRANCH   5  27
TORSDOF 9