REMARK  Name = BDB049732
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.270   0.798  -0.036  0.00  0.00    +0.049 A 
ATOM      2  S   LIG    1       -0.287   1.463  -0.409  0.00  0.00    -0.005 S 
ATOM      3  N   LIG    1       -1.072  -0.029  -0.061  0.00  0.00    -0.246 N 
ATOM      4  C   LIG    1       -0.169  -1.019   0.334  0.00  0.00    +0.263 A 
ATOM      5  O   LIG    1       -0.358  -2.182   0.661  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        1.212  -0.485   0.334  0.00  0.00    +0.086 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.491  -0.183  -0.177  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -3.318   0.881  -0.587  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -4.707   0.733  -0.701  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -5.305  -0.486  -0.409  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.515  -1.554  -0.004  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.126  -1.403   0.110  0.00  0.00    +0.027 A 
ENDBRANCH   3   7
BRANCH   1  13
ATOM     13  C   LIG    1        2.493   1.659  -0.149  0.00  0.00    +0.276 C 
BRANCH  13  14
ATOM     14  O   LIG    1        3.688   0.929   0.175  0.00  0.00    -0.459 OA
BRANCH  14  16
ATOM     15  C   LIG    1        5.612  -0.275  -0.406  0.00  0.00    +0.136 C 
ATOM     16  C   LIG    1        4.385   0.439  -0.886  0.00  0.00    +0.304 C 
ATOM     17  O   LIG    1        4.064   0.547  -2.059  0.00  0.00    -0.251 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   1  13
TORSDOF 4