REMARK  Name = BDB003242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.110   1.544  -0.073  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -3.783   0.849   0.018  0.00  0.00    -0.047 A 
ATOM      3  C   LIG    1       -2.659   1.526   0.494  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.420   0.883   0.548  0.00  0.00    +0.139 A 
ATOM      5  C   LIG    1       -1.278  -0.441   0.121  0.00  0.00    +0.067 A 
ATOM      6  C   LIG    1        0.076  -1.050   0.214  0.00  0.00    +0.200 A 
ATOM      7  C   LIG    1        1.179  -0.183   0.723  0.00  0.00    +0.059 A 
ATOM      8  C   LIG    1        0.856   1.058   1.108  0.00  0.00    +0.207 A 
ATOM      9  O   LIG    1        0.302  -2.210  -0.110  0.00  0.00    -0.286 OA
ATOM     10  C   LIG    1       -2.400  -1.135  -0.377  0.00  0.00    -0.036 A 
ATOM     11  C   LIG    1       -2.334  -2.557  -0.865  0.00  0.00    +0.044 C 
ATOM     12  O   LIG    1       -0.383   1.637   1.042  0.00  0.00    -0.462 OA
ATOM     13  C   LIG    1       -3.642  -0.472  -0.425  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   7  14
ATOM     14  C   LIG    1        2.514  -0.737   0.851  0.00  0.00    +0.043 C 
ATOM     15  C   LIG    1        3.650  -0.195   0.406  0.00  0.00    +0.096 C 
ATOM     16  C   LIG    1        5.009  -0.807   0.564  0.00  0.00    +0.264 C 
ATOM     17  O   LIG    1        5.293  -1.844   1.129  0.00  0.00    -0.268 OA
ATOM     18  N   LIG    1        5.854   0.074  -0.058  0.00  0.00    -0.263 N 
ATOM     19  H   LIG    1        6.849  -0.064  -0.127  0.00  0.00    +0.157 HD
ATOM     20  C   LIG    1        5.166   1.141  -0.574  0.00  0.00    +0.141 C 
ATOM     21  S   LIG    1        5.818   2.406  -1.404  0.00  0.00    -0.018 S 
ATOM     22  N   LIG    1        3.825   0.976  -0.282  0.00  0.00    -0.293 N 
ATOM     23  H   LIG    1        3.095   1.605  -0.586  0.00  0.00    +0.154 HD
ENDBRANCH   7  14
TORSDOF 1