REMARK  Name = BDB032605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.710   0.033   2.779  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1        1.111   0.704   3.429  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -0.359   0.455   2.012  0.00  0.00    +0.181 A 
ATOM      4  N   LIG    1       -0.788   1.713   2.126  0.00  0.00    -0.061 NA
ATOM      5  O   LIG    1       -1.844   1.831   1.241  0.00  0.00    -0.353 OA
ATOM      6  C   LIG    1       -2.052   0.639   0.609  0.00  0.00    +0.169 A 
ATOM      7  C   LIG    1       -1.126  -0.265   1.077  0.00  0.00    +0.097 A 
BRANCH   6   8
ATOM      8  C   LIG    1       -3.144   0.590  -0.358  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1       -3.469  -0.613  -1.003  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1       -4.513  -0.671  -1.933  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.247   0.474  -2.230  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -4.939   1.676  -1.600  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -3.896   1.734  -0.671  0.00  0.00    +0.011 A 
ENDBRANCH   6   8
ENDBRANCH   1   3
BRANCH   1  14
ATOM     14  S   LIG    1        1.581  -1.364   2.547  0.00  0.00    +0.074 S 
ATOM     15  O   LIG    1        2.651  -1.359   3.522  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        0.662  -2.477   2.442  0.00  0.00    -0.150 OA
BRANCH  14  20
ATOM     17  C   LIG    1        4.828   1.278  -0.632  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        3.856   0.151  -0.444  0.00  0.00    -0.049 A 
ATOM     19  C   LIG    1        3.259  -0.070   0.803  0.00  0.00    +0.032 A 
ATOM     20  C   LIG    1        2.326  -1.102   0.955  0.00  0.00    +0.109 A 
ATOM     21  C   LIG    1        1.989  -1.928  -0.120  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        2.572  -1.700  -1.365  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        3.493  -0.661  -1.527  0.00  0.00    +0.003 A 
ENDBRANCH  14  20
ENDBRANCH   1  14
TORSDOF 4