REMARK  Name = BDB030318
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.928   0.235  -0.104  0.00  0.00    +0.054 A 
ATOM      2  C   LIG    1        2.111  -0.880   0.108  0.00  0.00    +0.045 A 
ATOM      3  C   LIG    1        0.725  -0.719   0.163  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1       -0.089  -1.852   0.377  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        0.327  -2.767   0.490  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -1.470  -1.828   0.452  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -2.094  -0.520   0.294  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -1.321   0.607   0.082  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1       -2.265   2.015  -0.073  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1       -3.720   1.139   0.140  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -3.488  -0.207   0.326  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1       -2.110  -2.857   0.641  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        0.140   0.556   0.007  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        0.967   1.664  -0.205  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        2.355   1.503  -0.260  0.00  0.00    +0.019 A 
ENDROOT
BRANCH   1  17
ATOM     16  N   LIG    1        5.504  -0.053  -0.208  0.00  0.00    -0.191 NA
ATOM     17  C   LIG    1        4.352   0.079  -0.162  0.00  0.00    +0.099 C 
ENDBRANCH   1  17
TORSDOF 1