REMARK  Name = BDB003882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.042   0.043  -0.502  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        4.215  -0.176   0.605  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        2.821  -0.053   0.443  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.243   0.277  -0.778  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1        0.864   0.359  -0.780  0.00  0.00    -0.225 NA
ATOM      6  C   LIG    1        0.374   0.110   0.415  0.00  0.00    +0.162 A 
ATOM      7  C   LIG    1        3.085   0.495  -1.885  0.00  0.00    +0.031 A 
ATOM      8  S   LIG    1        1.573  -0.262   1.604  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        4.473   0.377  -1.735  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   6  10
ATOM     10  N   LIG    1       -0.958   0.115   0.679  0.00  0.00    -0.309 N 
ATOM     11  C   LIG    1       -1.904   0.551  -0.338  0.00  0.00    +0.123 C 
ATOM     12  C   LIG    1       -3.280   0.344   0.325  0.00  0.00    +0.064 C 
ATOM     13  C   LIG    1       -4.249   1.346  -0.294  0.00  0.00    +0.227 C 
ATOM     14  O   LIG    1       -4.399   2.487   0.136  0.00  0.00    -0.275 OA
ATOM     15  N   LIG    1       -4.859   0.984  -1.462  0.00  0.00    -0.256 N 
ATOM     16  H   LIG    1       -5.154   1.861  -1.886  0.00  0.00    +0.157 HD
ATOM     17  C   LIG    1       -6.045   0.313  -1.351  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -7.080   0.839  -1.758  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.034  -1.103  -0.823  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -5.223  -1.327   0.444  0.00  0.00    +0.010 C 
ATOM     21  C   LIG    1       -3.730  -1.128   0.200  0.00  0.00    +0.018 C 
ATOM     22  C   LIG    1       -2.953   0.700   1.792  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1       -1.526   0.190   2.015  0.00  0.00    +0.108 C 
ENDBRANCH   6  10
BRANCH   1  26
ATOM     24  C   LIG    1        8.709  -0.375   0.293  0.00  0.00    +0.109 C 
ATOM     25  C   LIG    1        7.239  -0.374   0.633  0.00  0.00    +0.214 C 
ATOM     26  N   LIG    1        6.450  -0.050  -0.457  0.00  0.00    -0.286 N 
ATOM     27  H   LIG    1        6.934   0.134  -1.326  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1        6.856  -0.663   1.760  0.00  0.00    -0.276 OA
ENDBRANCH   1  26
TORSDOF 2