REMARK  Name = BDB028698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.989  -2.103   1.063  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.144  -1.656   0.333  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.045  -2.697   0.482  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        2.332  -2.723  -0.053  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        2.718  -1.616  -0.825  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        1.815  -0.555  -1.025  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        0.476  -3.693   1.209  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        0.534  -0.546  -0.439  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1       -0.820  -3.342   1.538  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -2.218  -1.475   1.240  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -2.903  -2.115   1.642  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.311  -0.050   2.145  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -3.201  -0.364   3.247  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -0.961   0.419   2.385  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.953   0.749   0.035  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.162   1.128   1.127  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -3.038   2.491   1.438  0.00  0.00    +0.147 A 
ATOM     18  C   LIG    1       -3.670   3.464   0.659  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1       -4.452   3.082  -0.426  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.604   1.730  -0.728  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -3.811  -0.931  -1.567  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -4.202  -0.569  -0.240  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -2.318   2.898   2.524  0.00  0.00    -0.505 OA
ATOM     24  H   LIG    1       -2.371   3.863   2.625  0.00  0.00    +0.292 HD
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1       -0.354   0.476  -0.672  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        0.215   1.763  -0.421  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.089  -1.575  -1.460  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.898  -0.487  -0.926  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1        5.051   0.653  -1.633  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        5.848   1.398  -0.861  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        6.212   0.740   0.327  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        5.587  -0.483   0.255  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8