REMARK  Name = BDB028773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.085  -0.424  -0.100  0.00  0.00    -0.243 N 
ATOM      2  C   LIG    1        1.286   0.533  -1.067  0.00  0.00    +0.405 C 
ATOM      3  O   LIG    1        2.305   1.182  -1.236  0.00  0.00    -0.226 OA
ATOM      4  O   LIG    1        0.183   0.629  -1.868  0.00  0.00    -0.441 OA
ATOM      5  C   LIG    1       -0.816  -0.289  -1.393  0.00  0.00    +0.226 C 
ATOM      6  C   LIG    1       -0.048  -1.219  -0.465  0.00  0.00    +0.162 C 
ENDROOT
BRANCH   1  10
ATOM      7  O   LIG    1        5.537   0.470   1.609  0.00  0.00    -0.262 OA
ATOM      8  C   LIG    1        4.529  -0.087   1.209  0.00  0.00    +0.280 C 
ATOM      9  S   LIG    1        2.926   0.267   1.803  0.00  0.00    -0.035 S 
ATOM     10  C   LIG    1        2.159  -0.948   0.714  0.00  0.00    +0.232 C 
ATOM     11  C   LIG    1        3.289  -1.559  -0.110  0.00  0.00    +0.251 C 
ATOM     12  O   LIG    1        3.141  -2.383  -1.005  0.00  0.00    -0.272 OA
ATOM     13  N   LIG    1        4.500  -1.070   0.277  0.00  0.00    -0.245 N 
ATOM     14  H   LIG    1        5.347  -1.337  -0.199  0.00  0.00    +0.158 HD
ENDBRANCH   1  10
BRANCH   5  15
ATOM     15  C   LIG    1       -1.972   0.416  -0.710  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1       -1.858   1.713  -0.187  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -2.939   2.319   0.457  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -4.147   1.639   0.588  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -4.277   0.351   0.075  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -3.197  -0.257  -0.569  0.00  0.00    +0.007 A 
ENDBRANCH   5  15
TORSDOF 2