REMARK  Name = BDB058917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.177  -0.432  -2.969  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        1.277  -0.358  -2.134  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        1.502   0.151  -0.867  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.732   0.605  -0.370  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -0.118  -0.773  -2.461  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.108  -0.941  -1.478  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -2.415  -1.316  -1.821  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1       -2.696  -1.552  -3.176  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -1.717  -1.409  -4.161  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -0.430  -1.018  -3.804  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -3.438  -1.479  -0.881  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -3.811  -2.899  -0.671  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -4.731  -3.052   0.561  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1       -4.133  -2.590   1.831  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1       -4.887  -2.296   2.451  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -3.200  -1.469   1.611  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1       -3.461  -0.639   0.335  0.00  0.00    +0.120 C 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  N   LIG    1        2.857   0.876  -0.682  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        3.422   0.783  -1.542  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        2.681   2.542  -0.322  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        3.136   3.274  -1.483  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        1.350   2.719   0.228  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.851   2.747   0.990  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        3.618   2.107   2.212  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        4.518   2.284   3.263  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.638   3.099   3.091  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.864   3.738   1.870  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.971   3.564   0.812  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   3  18
TORSDOF 5