REMARK  Name = BDB049720
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.592  -1.652   0.297  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -1.376  -0.514  -0.143  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1       -1.785  -0.330  -1.449  0.00  0.00    +0.258 A 
ATOM      4  O   LIG    1       -1.609  -1.080  -2.396  0.00  0.00    -0.267 OA
ATOM      5  C   LIG    1       -2.491   0.963  -1.573  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.517   1.614  -0.406  0.00  0.00    +0.069 A 
ATOM      7  S   LIG    1       -1.743   0.780   0.895  0.00  0.00    -0.017 S 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1        0.879  -1.537  -0.074  0.00  0.00    +0.143 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.576  -0.574   0.845  0.00  0.00    +0.309 C 
ATOM     10  O   LIG    1        1.724  -0.761   2.046  0.00  0.00    -0.251 OA
BRANCH   9  12
ATOM     11  C   LIG    1        2.660   1.494   0.975  0.00  0.00    +0.280 C 
ATOM     12  O   LIG    1        2.008   0.519   0.160  0.00  0.00    -0.468 OA
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   1   8
TORSDOF 4