REMARK  Name = BDB032588
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.414   1.139   0.151  0.00  0.00    +0.181 A 
ATOM      2  N   LIG    1       -0.516   0.274  -0.856  0.00  0.00    -0.061 NA
ATOM      3  O   LIG    1        0.750  -0.244  -1.044  0.00  0.00    -0.353 OA
ATOM      4  C   LIG    1        1.612   0.300  -0.138  0.00  0.00    +0.169 A 
ATOM      5  C   LIG    1        0.906   1.182   0.650  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.999  -0.150  -0.199  0.00  0.00    +0.020 A 
ATOM      7  C   LIG    1        3.424  -1.078  -1.162  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        4.755  -1.503  -1.213  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        5.681  -1.007  -0.301  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1        5.279  -0.085   0.662  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        3.948   0.341   0.712  0.00  0.00    +0.011 A 
ENDBRANCH   4   6
BRANCH   1  12
ATOM     12  N   LIG    1       -1.464   1.871   0.685  0.00  0.00    -0.201 N 
ATOM     13  H   LIG    1       -1.262   2.547   1.418  0.00  0.00    +0.175 HD
BRANCH  12  14
ATOM     14  S   LIG    1       -2.885   2.215  -0.112  0.00  0.00    +0.044 S 
ATOM     15  O   LIG    1       -3.370   3.417   0.541  0.00  0.00    -0.155 OA
ATOM     16  O   LIG    1       -2.696   2.201  -1.544  0.00  0.00    -0.155 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -3.990   0.893   0.374  0.00  0.00    +0.188 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -4.676  -1.510   0.151  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -3.593  -0.482  -0.136  0.00  0.00    +0.021 C 
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH  12  14
ENDBRANCH   1  12
TORSDOF 5