REMARK  Name = BDB002428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.392   0.921   1.713  0.00  0.00    +0.151 C 
ATOM      2  N   LIG    1        0.197   0.245   0.451  0.00  0.00    -0.322 N 
ATOM      3  C   LIG    1        1.181  -0.162  -0.415  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1        0.686  -0.687  -1.510  0.00  0.00    -0.230 NA
ATOM      5  C   LIG    1       -0.672  -0.646  -1.339  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -1.016  -0.094  -0.119  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -2.332   0.117   0.471  0.00  0.00    +0.000 A 
ATOM      8  C   LIG    1       -2.693  -0.529   1.659  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -3.957  -0.327   2.217  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -4.869   0.519   1.588  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.521   1.160   0.400  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.257   0.957  -0.159  0.00  0.00    +0.010 A 
ENDBRANCH   6   7
BRANCH   3  13
ATOM     13  S   LIG    1        2.872   0.012  -0.081  0.00  0.00    -0.078 S 
BRANCH  13  14
ATOM     14  C   LIG    1        3.560  -1.054  -1.381  0.00  0.00    +0.172 C 
BRANCH  14  15
ATOM     15  C   LIG    1        5.071  -1.015  -1.300  0.00  0.00    +0.221 C 
ATOM     16  O   LIG    1        5.749  -1.861  -0.725  0.00  0.00    -0.275 OA
ATOM     17  N   LIG    1        5.668   0.046  -1.927  0.00  0.00    -0.329 N 
ATOM     18  H   LIG    1        6.665   0.141  -1.779  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1        5.141   0.890  -2.112  0.00  0.00    +0.145 HD
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   3  13
TORSDOF 4