REMARK  Name = BDB051120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.256  -0.590  -1.204  0.00  0.00    -0.028 C 
ATOM      2  C   LIG    1        0.134  -0.254  -0.937  0.00  0.00    -0.055 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.195   0.157  -0.607  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -1.412   1.401  -0.009  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -2.709   1.803   0.316  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.788   0.962   0.045  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -3.573  -0.280  -0.552  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.277  -0.683  -0.879  0.00  0.00    +0.017 A 
ENDBRANCH   2   3
BRANCH   1   9
ATOM      9  S   LIG    1        2.842  -1.051  -1.563  0.00  0.00    -0.063 S 
BRANCH   9  10
ATOM     10  C   LIG    1        3.414  -1.443   0.115  0.00  0.00    +0.203 C 
BRANCH  10  12
ATOM     11  O   LIG    1        3.493   0.961   0.671  0.00  0.00    -0.250 OA
ATOM     12  C   LIG    1        3.590  -0.215   0.977  0.00  0.00    +0.316 C 
BRANCH  12  13
ATOM     13  O   LIG    1        3.915  -0.547   2.248  0.00  0.00    -0.480 OA
ATOM     14  H   LIG    1        4.006   0.321   2.698  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   1   9
TORSDOF 5