REMARK  Name = BDB025352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.072   0.676  -0.819  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.247   0.172  -0.788  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        1.077  -0.123  -1.878  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.235  -0.637  -1.355  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        3.482  -1.138  -1.983  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        4.638  -1.072  -0.968  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        4.237  -1.714   0.322  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        3.097  -1.056   1.034  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        2.058  -0.609   0.045  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        0.880  -0.090   0.400  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -1.601   0.904  -1.905  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -5.718  -2.115   0.324  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -5.143  -0.731   0.380  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -3.758  -0.538   0.422  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.209   0.756   0.507  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -1.698   0.923   0.549  0.00  0.00    +0.113 C 
ATOM     17  C   LIG    1       -1.306   2.320   1.047  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -2.163   3.381   0.370  0.00  0.00    +0.102 C 
ATOM     19  N   LIG    1       -3.563   3.177   0.705  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1       -4.183   3.870   0.292  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1       -4.057   1.875   0.534  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1       -5.441   1.668   0.545  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1       -5.981   0.382   0.461  0.00  0.00    +0.005 A 
ENDBRANCH   1  16
BRANCH   7  24
ATOM     24  S   LIG    1        5.466  -2.316   1.306  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1        6.376  -3.066   0.468  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1        4.851  -2.915   2.470  0.00  0.00    -0.158 OA
ATOM     27  C   LIG    1        6.315  -0.840   1.837  0.00  0.00    +0.215 C 
ENDBRANCH   7  24
BRANCH   3  28
ATOM     28  N   LIG    1        0.726   0.092  -3.167  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1       -0.249   0.328  -3.385  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        1.194  -0.396  -3.926  0.00  0.00    +0.144 HD
ENDBRANCH   3  28
TORSDOF 3