REMARK  Name = BDB002528
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.866  -0.581  -1.375  0.00  0.00    -0.199 N 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -4.546   0.148   0.601  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -3.350   0.166   1.347  0.00  0.00    +0.163 A 
ATOM      4  C   LIG    1       -2.129  -0.083   0.708  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1       -2.093  -0.355  -0.660  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -3.273  -0.345  -1.402  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -4.497  -0.104  -0.774  0.00  0.00    +0.051 A 
BRANCH   2   9
ATOM      8  C   LIG    1       -6.923   0.405   0.583  0.00  0.00    +0.277 C 
ATOM      9  O   LIG    1       -5.699   0.393   1.303  0.00  0.00    -0.491 OA
ENDBRANCH   2   9
BRANCH   3  10
ATOM     10  O   LIG    1       -3.479   0.432   2.689  0.00  0.00    -0.491 OA
ATOM     11  C   LIG    1       -2.283   0.583   3.444  0.00  0.00    +0.277 C 
ENDBRANCH   3  10
ENDBRANCH   1   5
BRANCH   1  12
ATOM     12  S   LIG    1        0.029  -1.968  -0.973  0.00  0.00    +0.043 S 
ATOM     13  O   LIG    1        1.174  -1.982  -1.863  0.00  0.00    -0.155 OA
ATOM     14  O   LIG    1        0.213  -2.037   0.459  0.00  0.00    -0.155 OA
ATOM     15  C   LIG    1       -1.066  -3.278  -1.484  0.00  0.00    +0.218 C 
ENDBRANCH   1  12
BRANCH   1  16
ATOM     16  C   LIG    1       -0.049   0.632  -1.654  0.00  0.00    +0.227 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.898   1.058  -0.539  0.00  0.00    +0.236 C 
ATOM     18  N   LIG    1        2.172   0.534  -0.662  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        2.324  -0.186  -1.372  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        0.508   1.813   0.350  0.00  0.00    -0.274 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.294   0.756   0.176  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1        4.501   0.092  -0.135  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        5.629   0.265   0.681  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1        5.575   1.109   1.788  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.395   1.781   2.086  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.261   1.607   1.286  0.00  0.00    +0.024 A 
BRANCH  22  27
ATOM     27  S   LIG    1        4.640  -0.987  -1.565  0.00  0.00    -0.127 S 
ATOM     28  C   LIG    1        5.709   0.050  -2.598  0.00  0.00    +0.090 C 
ENDBRANCH  22  27
ENDBRANCH  18  21
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 8