REMARK  Name = BDB035050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.204  -0.622  -2.519  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        1.099  -0.639  -1.417  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        2.317  -0.922  -2.008  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        3.518  -1.079  -1.321  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        3.466  -0.924   0.072  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1        2.245  -0.604   0.700  0.00  0.00    +0.052 A 
ATOM      7  O   LIG    1        2.163  -1.009  -3.356  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.048  -0.435  -0.023  0.00  0.00    +0.135 A 
ATOM      9  N   LIG    1        0.839  -0.779  -3.685  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.171  -0.396  -2.511  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.518  -0.222  -3.455  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.171  -1.599  -1.862  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1       -2.998  -2.092  -2.945  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -1.384  -2.522  -1.069  0.00  0.00    -0.150 OA
BRANCH  12  17
ATOM     15  C   LIG    1       -4.119  -0.395   1.463  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1       -3.294  -1.084   0.578  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1       -3.225  -0.684  -0.765  0.00  0.00    +0.151 A 
ATOM     18  C   LIG    1       -3.987   0.393  -1.241  0.00  0.00    +0.147 A 
ATOM     19  C   LIG    1       -4.808   1.077  -0.337  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -4.873   0.685   1.006  0.00  0.00    +0.020 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -4.239  -1.119   3.990  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -4.185  -0.787   2.837  0.00  0.00    -0.070 C 
ENDBRANCH  15  22
BRANCH  18  23
ATOM     23  O   LIG    1       -3.864   0.724  -2.563  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -4.808   1.640  -3.104  0.00  0.00    +0.277 C 
ENDBRANCH  18  23
ENDBRANCH  12  17
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1       -0.152  -0.077   0.529  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1       -0.129   0.399   1.870  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  C   LIG    1        4.720  -1.086   0.902  0.00  0.00    +0.178 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.183   0.192   1.425  0.00  0.00    -0.267 N 
ATOM     29  N   LIG    1        4.859   0.567   2.682  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        5.457   1.753   2.820  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        6.165   2.136   1.667  0.00  0.00    +0.041 A 
ATOM     32  C   LIG    1        5.974   1.102   0.781  0.00  0.00    +0.108 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8