REMARK  Name = BDB028713
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.913   0.836   0.292  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.410   0.321   0.280  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.882   0.660  -0.973  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.155   0.358  -1.445  0.00  0.00    +0.056 A 
ATOM      5  C   LIG    1        2.995  -0.360  -0.575  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.538  -0.710   0.715  0.00  0.00    +0.053 A 
ATOM      7  O   LIG    1       -0.087   1.324  -1.656  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.249  -0.376   1.169  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -1.219   1.428  -0.866  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.773   0.716   1.375  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.491   0.106   2.140  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -3.412   1.032   1.321  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.562   2.442   1.027  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.964   0.481   2.546  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -4.854   0.561  -0.999  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -4.023   0.032  -0.007  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -3.677  -1.326  -0.057  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -4.102  -2.127  -1.122  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -4.925  -1.594  -2.111  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -5.314  -0.258  -2.038  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -4.717   2.681  -1.900  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -5.342   1.836  -0.931  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -2.868  -1.887   0.900  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.613  -2.774   1.740  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        0.740  -0.695   2.399  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        1.684  -1.040   3.408  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.414  -0.733  -0.985  0.00  0.00    +0.195 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.437   0.296  -0.548  0.00  0.00    +0.092 A 
ATOM     29  N   LIG    1        5.954   0.185   0.710  0.00  0.00    -0.254 NA
ATOM     30  C   LIG    1        6.841   1.142   1.069  0.00  0.00    +0.131 A 
ATOM     31  C   LIG    1        7.204   2.175   0.224  0.00  0.00    +0.130 A 
ATOM     32  N   LIG    1        6.699   2.301  -1.022  0.00  0.00    -0.260 NA
ATOM     33  C   LIG    1        5.811   1.342  -1.387  0.00  0.00    +0.137 A 
ENDBRANCH  27  28
BRANCH  27  34
ATOM     34  O   LIG    1        4.473  -0.971  -2.395  0.00  0.00    -0.381 OA
ATOM     35  H   LIG    1        3.815  -1.664  -2.582  0.00  0.00    +0.211 HD
ENDBRANCH  27  34
ENDBRANCH   5  27
TORSDOF 9