REMARK  Name = BDB025376
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.865  -0.740   0.087  0.00  0.00    +0.257 C 
ATOM      2  N   LIG    1        0.538  -0.719  -0.077  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        1.466  -1.679   0.350  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        2.697  -1.249  -0.075  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        4.058  -1.822   0.088  0.00  0.00    +0.057 C 
ATOM      6  C   LIG    1        5.065  -1.095  -0.818  0.00  0.00    +0.114 C 
ATOM      7  N   LIG    1        4.861   0.382  -0.841  0.00  0.00    -0.175 NA
ATOM      8  C   LIG    1        3.531   0.831  -1.337  0.00  0.00    +0.166 C 
ATOM      9  C   LIG    1        2.456  -0.017  -0.723  0.00  0.00    +0.084 A 
ATOM     10  N   LIG    1        1.164   0.320  -0.718  0.00  0.00    -0.166 NA
ATOM     11  O   LIG    1       -1.383  -1.702   0.648  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  19
ATOM     12  C   LIG    1       -6.576   0.635   0.545  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -5.414   0.273  -0.341  0.00  0.00    -0.029 A 
ATOM     14  C   LIG    1       -4.086   0.573   0.031  0.00  0.00    +0.034 A 
ATOM     15  N   LIG    1       -3.831   1.182   1.262  0.00  0.00    -0.343 N 
ATOM     16  H   LIG    1       -4.485   1.923   1.494  0.00  0.00    +0.146 HD
ATOM     17  C   LIG    1       -2.466   1.385   1.707  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1       -1.531   1.647   0.539  0.00  0.00    +0.036 C 
ATOM     19  C   LIG    1       -1.590   0.485  -0.460  0.00  0.00    +0.113 C 
ATOM     20  C   LIG    1       -3.035   0.175  -0.818  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1       -3.312  -0.490  -2.025  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.625  -0.763  -2.393  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.670  -0.383  -1.557  0.00  0.00    +0.005 A 
ENDBRANCH   1  19
BRANCH   7  24
ATOM     24  S   LIG    1        5.672   1.367   0.244  0.00  0.00    +0.029 S 
ATOM     25  O   LIG    1        5.590   2.723  -0.255  0.00  0.00    -0.158 OA
ATOM     26  O   LIG    1        6.951   0.756   0.534  0.00  0.00    -0.158 OA
ATOM     27  C   LIG    1        4.682   1.284   1.724  0.00  0.00    +0.215 C 
ENDBRANCH   7  24
BRANCH   3  28
ATOM     28  N   LIG    1        1.128  -2.783   1.052  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1        0.136  -3.026   1.166  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1        1.750  -3.581   1.140  0.00  0.00    +0.144 HD
ENDBRANCH   3  28
TORSDOF 3