REMARK  Name = BDB059137
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.795  -0.947   0.266  0.00  0.00    +0.156 A 
ATOM      2  C   LIG    1       -1.603  -0.276   0.569  0.00  0.00    +0.148 A 
ATOM      3  N   LIG    1       -1.332   1.040   0.878  0.00  0.00    -0.231 NA
ATOM      4  C   LIG    1       -0.029   1.075   1.076  0.00  0.00    +0.203 A 
ATOM      5  N   LIG    1        0.555  -0.151   0.887  0.00  0.00    -0.286 N 
ATOM      6  C   LIG    1       -0.444  -1.034   0.571  0.00  0.00    +0.167 A 
ATOM      7  N   LIG    1       -0.331  -2.349   0.308  0.00  0.00    -0.216 NA
ATOM      8  C   LIG    1       -1.542  -2.888   0.038  0.00  0.00    +0.225 A 
ATOM      9  N   LIG    1       -2.739  -2.271   0.001  0.00  0.00    -0.218 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1        1.959  -0.489   1.042  0.00  0.00    +0.253 C 
ATOM     11  C   LIG    1        2.550  -1.230  -0.163  0.00  0.00    +0.195 C 
ATOM     12  C   LIG    1        4.009  -0.829  -0.070  0.00  0.00    +0.177 C 
ATOM     13  C   LIG    1        3.930   0.625   0.391  0.00  0.00    +0.162 C 
ATOM     14  O   LIG    1        2.724   0.728   1.197  0.00  0.00    -0.347 OA
BRANCH  11  15
ATOM     15  O   LIG    1        2.430  -2.652  -0.099  0.00  0.00    -0.385 OA
ATOM     16  H   LIG    1        1.469  -2.850  -0.047  0.00  0.00    +0.210 HD
ENDBRANCH  11  15
BRANCH  12  17
ATOM     17  O   LIG    1        4.640  -1.622   0.949  0.00  0.00    -0.386 OA
ATOM     18  H   LIG    1        4.356  -2.543   0.766  0.00  0.00    +0.210 HD
ENDBRANCH  12  17
BRANCH  13  19
ATOM     19  C   LIG    1        3.805   1.656  -0.739  0.00  0.00    +0.103 C 
BRANCH  19  20
ATOM     20  S   LIG    1        5.195   1.700  -1.916  0.00  0.00    -0.161 S 
ATOM     21  C   LIG    1        6.512   2.270  -0.811  0.00  0.00    +0.084 C 
ENDBRANCH  19  20
ENDBRANCH  13  19
ENDBRANCH   5  10
BRANCH   1  23
ATOM     22  C   LIG    1       -5.231  -0.702  -0.023  0.00  0.00    +0.245 C 
ATOM     23  N   LIG    1       -3.983  -0.205   0.257  0.00  0.00    -0.265 N 
ATOM     24  H   LIG    1       -3.852   0.772   0.481  0.00  0.00    +0.157 HD
ATOM     25  O   LIG    1       -5.489  -1.866  -0.311  0.00  0.00    -0.270 OA
BRANCH  22  27
ATOM     26  C   LIG    1       -7.585  -0.092  -0.236  0.00  0.00    +0.017 C 
ATOM     27  C   LIG    1       -6.337   0.324   0.046  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -6.059   1.748   0.416  0.00  0.00    +0.048 C 
ENDBRANCH  22  27
ENDBRANCH   1  23
TORSDOF 7