REMARK  Name = BDB002431
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.687  -0.877  -0.058  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        1.543  -1.633   0.139  0.00  0.00    -0.325 N 
ATOM      3  C   LIG    1        1.812  -2.947  -0.183  0.00  0.00    +0.057 A 
ATOM      4  C   LIG    1        3.116  -3.034  -0.564  0.00  0.00    +0.038 A 
ATOM      5  S   LIG    1        3.578  -4.649  -0.983  0.00  0.00    -0.095 S 
ATOM      6  C   LIG    1        1.980  -5.188  -0.649  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        1.124  -4.192  -0.229  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        3.690  -1.737  -0.495  0.00  0.00    +0.050 A 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        2.769   0.558   0.153  0.00  0.00    +0.356 C 
ATOM     10  O   LIG    1        1.875   1.258   0.611  0.00  0.00    -0.243 OA
BRANCH   9  11
ATOM     11  O   LIG    1        4.000   1.013  -0.215  0.00  0.00    -0.460 OA
BRANCH  11  13
ATOM     12  C   LIG    1        4.688   2.751   1.323  0.00  0.00    +0.048 C 
ATOM     13  C   LIG    1        4.212   2.424  -0.080  0.00  0.00    +0.229 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   1   9
BRANCH   2  14
ATOM     14  C   LIG    1        0.244  -1.177   0.620  0.00  0.00    +0.218 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.606  -0.521  -0.463  0.00  0.00    +0.240 C 
ATOM     16  N   LIG    1       -1.808   0.027  -0.026  0.00  0.00    -0.267 N 
ATOM     17  C   LIG    1       -2.244   0.245   1.380  0.00  0.00    +0.083 C 
ATOM     18  C   LIG    1       -1.564   1.478   1.989  0.00  0.00    +0.029 C 
ATOM     19  C   LIG    1       -3.772   0.458   1.323  0.00  0.00    +0.059 C 
ATOM     20  C   LIG    1       -3.970   0.818  -0.115  0.00  0.00    -0.024 A 
ATOM     21  C   LIG    1       -5.124   1.306  -0.709  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -5.125   1.500  -2.090  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.988   1.192  -2.852  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.833   0.689  -2.242  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1       -2.832   0.514  -0.869  0.00  0.00    +0.040 A 
ATOM     26  O   LIG    1       -0.262  -0.559  -1.646  0.00  0.00    -0.273 OA
ENDBRANCH  14  15
ENDBRANCH   2  14
TORSDOF 5