REMARK  Name = BDB030280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.673   0.764  -0.209  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.096  -0.466   0.134  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.292  -0.571   0.246  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1       -0.857  -1.818   0.592  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1       -0.263  -2.619   0.755  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -2.211  -2.057   0.735  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1       -3.089  -0.915   0.504  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -2.562   0.318   0.163  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1       -3.772   1.495  -0.056  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1       -5.015   0.374   0.300  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -4.515  -0.878   0.582  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1       -2.628  -3.170   1.039  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -1.124   0.546   0.018  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -0.541   1.770  -0.324  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        0.849   1.876  -0.436  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  16
ATOM     16  C   LIG    1        3.145   0.944  -0.345  0.00  0.00    +0.339 C 
ATOM     17  O   LIG    1        3.668   2.006  -0.642  0.00  0.00    -0.245 OA
BRANCH  16  19
ATOM     18  C   LIG    1        5.216  -0.125  -0.205  0.00  0.00    +0.280 C 
ATOM     19  O   LIG    1        3.794  -0.220  -0.094  0.00  0.00    -0.464 OA
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 2