REMARK  Name = BDB002553
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.152  -2.649   0.508  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.859  -3.258   0.990  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.736  -2.438   1.001  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -3.826  -0.980   0.851  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -2.484  -0.406   0.514  0.00  0.00    +0.013 A 
ATOM      6  S   LIG    1       -2.316   1.241   0.135  0.00  0.00    -0.076 S 
ATOM      7  C   LIG    1       -0.649   1.083  -0.127  0.00  0.00    +0.082 A 
ATOM      8  C   LIG    1       -0.206  -0.217   0.074  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -1.277  -1.085   0.486  0.00  0.00    -0.023 A 
ATOM     10  C   LIG    1       -1.245  -2.544   0.830  0.00  0.00    +0.055 C 
ATOM     11  C   LIG    1       -2.505  -2.965   1.604  0.00  0.00    +0.113 C 
ATOM     12  O   LIG    1       -4.825  -4.438   1.338  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1        1.331  -0.584  -0.162  0.00  0.00    +0.112 A 
ATOM     14  S   LIG    1        1.998  -2.153  -0.013  0.00  0.00    -0.067 S 
ATOM     15  C   LIG    1        3.551  -1.550  -0.436  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1        3.453  -0.178  -0.670  0.00  0.00    +0.079 A 
ATOM     17  C   LIG    1        4.613   0.534  -1.036  0.00  0.00    +0.029 A 
ATOM     18  C   LIG    1        5.832  -0.141  -1.157  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.907  -1.510  -0.919  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.769  -2.238  -0.555  0.00  0.00    +0.017 A 
ATOM     21  N   LIG    1        2.186   0.359  -0.514  0.00  0.00    -0.239 NA
ENDBRANCH   8  13
BRANCH   7  22
ATOM     22  N   LIG    1        0.129   2.161  -0.511  0.00  0.00    -0.279 N 
ATOM     23  H   LIG    1        1.113   1.940  -0.656  0.00  0.00    +0.155 HD
ATOM     24  C   LIG    1       -0.266   3.463  -0.702  0.00  0.00    +0.221 C 
ATOM     25  O   LIG    1       -1.378   3.954  -0.596  0.00  0.00    -0.275 OA
BRANCH  24  26
ATOM     26  C   LIG    1        0.865   4.341  -1.123  0.00  0.00    +0.075 C 
ATOM     27  C   LIG    1        1.206   5.561  -0.298  0.00  0.00    +0.013 C 
ATOM     28  C   LIG    1        2.157   4.402  -0.339  0.00  0.00    +0.013 C 
ENDBRANCH  24  26
ENDBRANCH   7  22
TORSDOF 3