REMARK  Name = BDB028710
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.616  -0.648   1.508  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.769  -0.479   1.250  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.154  -1.693   0.716  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.447  -2.002   0.307  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1        3.408  -0.989   0.456  0.00  0.00    -0.034 A 
ATOM      6  C   LIG    1        3.040   0.264   0.995  0.00  0.00    +0.050 A 
ATOM      7  O   LIG    1        0.078  -2.520   0.655  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.722   0.548   1.396  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -1.037  -1.865   1.149  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.422   0.342   2.053  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.024   1.275   2.143  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.091   0.308   2.050  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.496  -0.820   2.864  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.520   1.650   2.404  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -2.955   0.880  -0.630  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.536   0.065   0.353  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.462  -0.910  -0.029  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.785  -1.078  -1.382  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.165  -0.301  -2.358  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -3.246   0.676  -1.983  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -2.606   3.156  -0.474  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -2.046   1.852  -0.296  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -5.168  -1.638   0.887  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.715  -2.993   0.930  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        1.286   1.739   1.913  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        2.239   2.793   1.996  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.842  -1.240   0.037  0.00  0.00    +0.092 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.024  -0.547  -1.273  0.00  0.00    +0.067 A 
ATOM     29  N   LIG    1        5.626   0.651  -1.337  0.00  0.00    -0.179 NA
ATOM     30  N   LIG    1        5.623   0.948  -2.647  0.00  0.00    -0.284 N 
ATOM     31  H   LIG    1        6.034   1.829  -2.942  0.00  0.00    +0.188 HD
ATOM     32  C   LIG    1        5.053  -0.016  -3.423  0.00  0.00    +0.105 A 
ATOM     33  C   LIG    1        4.654  -1.008  -2.562  0.00  0.00    +0.044 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8