REMARK  Name = BDB053015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.534  -0.037  -0.366  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -1.595   0.955  -0.668  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -0.246   0.726  -0.399  0.00  0.00    +0.051 A 
ATOM      4  N   LIG    1        0.693   1.735  -0.699  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        0.389   2.607  -1.111  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        2.055   1.633  -0.483  0.00  0.00    +0.257 A 
ATOM      7  C   LIG    1        2.516   0.379   0.102  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1        1.617  -0.627   0.406  0.00  0.00    +0.034 A 
ATOM      9  S   LIG    1        2.382  -1.991   1.079  0.00  0.00    -0.096 S 
ATOM     10  C   LIG    1        3.924  -1.257   0.971  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        3.856   0.009   0.431  0.00  0.00    +0.021 A 
ATOM     12  O   LIG    1        2.813   2.555  -0.770  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        0.179  -0.498   0.164  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -0.768  -1.490   0.441  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1       -2.122  -1.264   0.172  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1  17
ATOM     16  O   LIG    1       -4.316   0.842  -1.662  0.00  0.00    -0.245 OA
ATOM     17  C   LIG    1       -3.957   0.233  -0.670  0.00  0.00    +0.337 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -4.801  -0.218   0.280  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -4.373  -0.530   1.100  0.00  0.00    +0.295 HD
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 2