REMARK  Name = BDB025457
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.432   0.265   0.857  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        3.570   0.682  -0.296  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        2.228   0.015  -0.203  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1        1.307   0.091  -1.161  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1        0.217  -0.590  -0.669  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1        0.545  -1.215   0.551  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1       -0.990  -0.511  -1.405  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1       -0.958  -0.154  -2.582  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        1.790  -0.745   0.898  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        2.654  -0.971   2.084  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1        3.725   0.134   2.166  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.266  -0.830  -0.648  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.320   0.269  -0.774  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -4.680  -0.070  -0.910  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -5.625   0.956  -1.041  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -5.250   2.297  -0.956  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -3.915   2.630  -0.759  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -5.104  -1.399  -1.056  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -6.064  -1.535  -0.750  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -4.184  -2.426  -0.607  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -2.955   1.624  -0.666  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -2.802  -2.166  -1.180  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  24
ATOM     23  C   LIG    1        5.723   2.607   1.332  0.00  0.00    +0.215 C 
ATOM     24  S   LIG    1        5.991   0.904   0.874  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1        6.715   0.270   1.955  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1        6.499   0.884  -0.480  0.00  0.00    -0.158 OA
ENDBRANCH   1  24
BRANCH   6  27
ATOM     27  N   LIG    1       -0.215  -2.121   1.222  0.00  0.00    -0.343 N 
ATOM     28  H   LIG    1       -0.718  -2.827   0.687  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        0.220  -2.578   2.025  0.00  0.00    +0.144 HD
ENDBRANCH   6  27
TORSDOF 3