REMARK  Name = BDB002498
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.910  -0.994   1.381  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -1.026  -0.522  -0.036  0.00  0.00    -0.019 A 
ATOM      3  C   LIG    1        0.038   0.128  -0.788  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1       -0.410   0.493  -2.049  0.00  0.00    +0.114 A 
ATOM      5  N   LIG    1        0.276   1.163  -2.989  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1        1.504   1.482  -2.584  0.00  0.00    +0.224 A 
ATOM      7  N   LIG    1        2.076   1.185  -1.411  0.00  0.00    -0.220 NA
ATOM      8  S   LIG    1       -1.999  -0.012  -2.369  0.00  0.00    -0.064 S 
ATOM      9  C   LIG    1        1.383   0.470  -0.492  0.00  0.00    +0.133 A 
ATOM     10  C   LIG    1       -2.184  -0.642  -0.794  0.00  0.00    +0.080 A 
ENDROOT
BRANCH   9  11
ATOM     11  N   LIG    1        2.008   0.098   0.708  0.00  0.00    -0.310 N 
ATOM     12  C   LIG    1        3.029   1.044   1.186  0.00  0.00    +0.142 C 
ATOM     13  C   LIG    1        4.447   0.732   0.744  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1        4.783  -0.488   0.131  0.00  0.00    -0.041 A 
ATOM     15  C   LIG    1        6.110  -0.738  -0.247  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        7.104   0.206   0.005  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        6.781   1.409   0.627  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        3.710  -1.499  -0.181  0.00  0.00    +0.054 C 
ATOM     19  C   LIG    1        5.461   1.671   0.995  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        2.465  -1.303   0.689  0.00  0.00    +0.111 C 
ENDBRANCH   9  11
BRANCH  10  21
ATOM     21  C   LIG    1       -3.427  -1.302  -0.422  0.00  0.00    +0.254 C 
ATOM     22  N   LIG    1       -4.604  -0.554  -0.437  0.00  0.00    -0.293 N 
ATOM     23  C   LIG    1       -5.868  -1.228  -0.144  0.00  0.00    +0.136 C 
ATOM     24  C   LIG    1       -7.056  -0.418  -0.667  0.00  0.00    +0.179 C 
ATOM     25  O   LIG    1       -7.130   0.910  -0.128  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1       -5.864   1.450   0.275  0.00  0.00    +0.179 C 
ATOM     27  C   LIG    1       -4.680   0.909  -0.534  0.00  0.00    +0.136 C 
ATOM     28  O   LIG    1       -3.438  -2.481  -0.070  0.00  0.00    -0.269 OA
ENDBRANCH  10  21
TORSDOF 2