REMARK  Name = BDB025354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.455   0.759  -0.840  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1       -3.303   1.688  -1.111  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1       -2.068   1.217  -0.408  0.00  0.00    +0.084 A 
ATOM      4  N   LIG    1       -0.859   1.726  -0.635  0.00  0.00    -0.166 NA
ATOM      5  N   LIG    1       -0.003   0.968   0.127  0.00  0.00    -0.185 N 
ATOM      6  C   LIG    1       -0.739   0.154   1.012  0.00  0.00    +0.126 A 
ATOM      7  C   LIG    1        1.387   1.095  -0.129  0.00  0.00    +0.257 C 
ATOM      8  O   LIG    1        1.787   2.034  -0.815  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1       -2.053   0.253   0.616  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -3.292  -0.414   1.095  0.00  0.00    +0.057 C 
ATOM     11  C   LIG    1       -4.543   0.337   0.597  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        2.276  -0.020   0.399  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1        3.760   0.342   0.496  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        4.733  -0.630   0.195  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        6.091  -0.294   0.295  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        6.491   0.980   0.698  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1        5.529   1.928   1.023  0.00  0.00    +0.041 A 
ATOM     18 CL   LIG    1        6.014   3.492   1.552  0.00  0.00    -0.084 Cl
ATOM     19  N   LIG    1        4.401  -1.951  -0.102  0.00  0.00    -0.344 N 
ATOM     20  H   LIG    1        4.968  -2.352  -0.845  0.00  0.00    +0.146 HD
ATOM     21  C   LIG    1        3.008  -2.358  -0.093  0.00  0.00    +0.102 C 
ATOM     22  C   LIG    1        4.174   1.615   0.935  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        2.098  -1.229  -0.533  0.00  0.00    +0.036 C 
ENDBRANCH   7  12
BRANCH   1  25
ATOM     24  C   LIG    1       -6.462  -0.730  -1.853  0.00  0.00    +0.215 C 
ATOM     25  S   LIG    1       -4.718  -0.414  -2.032  0.00  0.00    +0.029 S 
ATOM     26  O   LIG    1       -3.999  -1.613  -1.664  0.00  0.00    -0.158 OA
ATOM     27  O   LIG    1       -4.536   0.204  -3.327  0.00  0.00    -0.158 OA
ENDBRANCH   1  25
BRANCH   6  28
ATOM     28  N   LIG    1       -0.236  -0.577   2.042  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        0.442  -0.133   2.664  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -0.909  -1.082   2.620  0.00  0.00    +0.144 HD
ENDBRANCH   6  28
TORSDOF 3