REMARK  Name = BDB028706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.391   0.425   0.820  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.793  -0.239   0.405  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.579   0.778  -0.101  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.852   0.601  -0.630  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.353  -0.714  -0.636  0.00  0.00    -0.034 A 
ATOM      6  C   LIG    1        2.567  -1.773  -0.132  0.00  0.00    +0.050 A 
ATOM      7  O   LIG    1        0.911   1.957   0.001  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.279  -1.561   0.395  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.329   1.737   0.576  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.475  -0.226   1.393  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.475  -1.244   1.382  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.986   0.455   1.597  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -2.834   1.555   2.527  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.879  -0.645   1.912  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.326   0.169  -1.111  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.442   1.035  -0.013  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -3.928   2.330  -0.215  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.272   2.758  -1.504  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.104   1.910  -2.597  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.627   0.617  -2.402  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.914  -2.062  -1.146  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.861  -1.113  -0.955  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.198   3.173   0.828  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.240   4.232   0.898  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        0.454  -2.533   0.894  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        0.953  -3.865   0.916  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.735  -0.991  -1.192  0.00  0.00    +0.094 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.705  -0.517  -0.167  0.00  0.00    +0.088 A 
ATOM     29  N   LIG    1        6.443   0.580  -0.392  0.00  0.00    -0.083 NA
ATOM     30  O   LIG    1        7.235   0.739   0.731  0.00  0.00    -0.363 OA
ATOM     31  C   LIG    1        6.977  -0.260   1.609  0.00  0.00    +0.230 A 
ATOM     32  C   LIG    1        6.022  -1.092   1.089  0.00  0.00    +0.067 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8