REMARK  Name = BDB003517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.549  -0.199   1.097  0.00  0.00    -0.255 N 
ATOM      2  C   LIG    1        5.032  -0.623   2.317  0.00  0.00    +0.121 C 
ATOM      3  S   LIG    1        6.613  -0.652   2.845  0.00  0.00    -0.027 S 
ATOM      4  S   LIG    1        3.701  -1.176   3.322  0.00  0.00    -0.061 S 
ATOM      5  C   LIG    1        2.519  -0.875   2.101  0.00  0.00    +0.077 C 
ATOM      6  C   LIG    1        1.214  -1.109   2.299  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        3.185  -0.335   0.881  0.00  0.00    +0.258 C 
ATOM      8  O   LIG    1        2.617  -0.069  -0.168  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        0.136  -0.882   1.335  0.00  0.00    -0.020 A 
ATOM     10  C   LIG    1       -0.775   0.158   1.551  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -1.824   0.389   0.656  0.00  0.00    +0.122 A 
ATOM     12  C   LIG    1       -1.978  -0.449  -0.449  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -1.077  -1.494  -0.666  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -0.023  -1.711   0.222  0.00  0.00    +0.008 A 
BRANCH  11  15
ATOM     15  O   LIG    1       -2.641   1.434   0.990  0.00  0.00    -0.487 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -3.485   1.978  -0.030  0.00  0.00    +0.264 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -4.839   1.310  -0.111  0.00  0.00    -0.010 A 
ATOM     18  C   LIG    1       -5.448   0.751   1.022  0.00  0.00    +0.007 A 
ATOM     19  C   LIG    1       -6.711   0.164   0.933  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -7.385   0.139  -0.286  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -6.799   0.705  -1.417  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.535   1.292  -1.329  0.00  0.00    +0.007 A 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  11  15
ENDBRANCH   6   9
BRANCH   1  23
ATOM     23  C   LIG    1        5.381   0.312   0.001  0.00  0.00    +0.126 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.770  -0.792  -0.977  0.00  0.00    +0.140 C 
BRANCH  24  26
ATOM     25  O   LIG    1        7.556  -1.037  -2.590  0.00  0.00    -0.251 OA
ATOM     26  C   LIG    1        6.750  -0.326  -2.013  0.00  0.00    +0.306 C 
BRANCH  26  27
ATOM     27  O   LIG    1        6.643   0.974  -2.335  0.00  0.00    -0.481 OA
ATOM     28  H   LIG    1        7.304   1.099  -3.050  0.00  0.00    +0.295 HD
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8