REMARK  Name = BDB022097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.135  -2.215  -0.521  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -2.384  -1.073  -0.139  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1       -1.406  -0.185   0.306  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -0.016  -0.653   0.257  0.00  0.00    +0.118 C 
ATOM      5  C   LIG    1        0.999   0.414   0.697  0.00  0.00    +0.062 C 
ATOM      6  C   LIG    1        0.575   1.803   0.201  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -0.835   2.180   0.679  0.00  0.00    +0.020 C 
ATOM      8  C   LIG    1       -1.663   0.983   1.145  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.413   0.054   0.318  0.00  0.00    +0.084 A 
ATOM     10  S   LIG    1        2.930  -0.014  -1.321  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        4.513  -0.457  -0.811  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        4.538  -0.518   0.582  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        5.745  -0.865   1.223  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        6.885  -1.139   0.461  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.836  -1.071  -0.928  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.651  -0.729  -1.588  0.00  0.00    +0.017 A 
ATOM     17  N   LIG    1        3.340  -0.224   1.210  0.00  0.00    -0.244 NA
ENDBRANCH   5   9
BRANCH   2  18
ATOM     18  C   LIG    1       -3.794  -0.630  -0.185  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1       -4.768  -1.401   0.457  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1       -6.108  -1.013   0.400  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -6.467   0.134  -0.313  0.00  0.00    +0.013 A 
ATOM     22  I   LIG    1       -8.463   0.710  -0.399  0.00  0.00    -0.044 I 
ATOM     23  C   LIG    1       -5.499   0.891  -0.977  0.00  0.00    +0.015 A 
ATOM     24  C   LIG    1       -4.159   0.504  -0.920  0.00  0.00    +0.014 A 
ENDBRANCH   2  18
TORSDOF 2