REMARK  Name = BDB025452
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.840  -0.588  -1.166  0.00  0.00    -0.175 NA
ATOM      2  C   LIG    1        1.413  -0.166  -0.952  0.00  0.00    +0.165 C 
ATOM      3  C   LIG    1        0.652  -1.345  -0.461  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        1.059  -2.660  -0.486  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -0.003  -3.376   0.075  0.00  0.00    +0.142 A 
ATOM      6  N   LIG    1       -1.018  -2.588   0.408  0.00  0.00    -0.149 NA
ATOM      7  C   LIG    1        2.389  -3.050  -1.011  0.00  0.00    +0.057 C 
ATOM      8  N   LIG    1       -0.615  -1.326   0.085  0.00  0.00    -0.201 N 
ATOM      9  C   LIG    1       -1.458  -0.215   0.290  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -1.076   0.887  -0.091  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        2.954  -1.911  -1.884  0.00  0.00    +0.114 C 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1       -2.800  -0.529   0.941  0.00  0.00    +0.113 C 
ATOM     13  C   LIG    1       -3.288   0.637   1.786  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1       -4.320   1.474   1.329  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -4.765   2.510   2.159  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -4.157   2.757   3.392  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -3.111   1.950   3.825  0.00  0.00    +0.000 A 
ATOM     18  N   LIG    1       -5.017   1.209   0.141  0.00  0.00    -0.344 N 
ATOM     19  H   LIG    1       -5.404   2.057  -0.267  0.00  0.00    +0.146 HD
ATOM     20  C   LIG    1       -4.346   0.356  -0.826  0.00  0.00    +0.102 C 
ATOM     21  C   LIG    1       -2.680   0.891   3.029  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -3.822  -0.898  -0.141  0.00  0.00    +0.036 C 
ENDBRANCH   9  12
BRANCH   1  23
ATOM     23  S   LIG    1        3.833   0.625  -1.835  0.00  0.00    +0.034 S 
ATOM     24  O   LIG    1        3.126   1.165  -2.978  0.00  0.00    -0.158 OA
ATOM     25  O   LIG    1        5.159   0.064  -1.987  0.00  0.00    -0.158 OA
BRANCH  23  27
ATOM     26  C   LIG    1        4.805   3.028  -0.976  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        3.897   1.882  -0.534  0.00  0.00    +0.142 C 
ATOM     28  C   LIG    1        4.377   1.296   0.788  0.00  0.00    +0.033 C 
ENDBRANCH  23  27
ENDBRANCH   1  23
BRANCH   5  29
ATOM     29  N   LIG    1       -0.014  -4.699   0.255  0.00  0.00    -0.341 N 
ATOM     30  H   LIG    1       -0.904  -5.129   0.482  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1        0.616  -5.307  -0.254  0.00  0.00    +0.144 HD
ENDBRANCH   5  29
TORSDOF 4