REMARK  Name = BDB051121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.067  -0.618  -0.462  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -0.115  -1.243  -0.356  0.00  0.00    +0.014 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.407  -0.545  -0.292  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.514  -1.113  -0.935  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -3.766  -0.495  -0.877  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -3.925   0.692  -0.165  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.835   1.258   0.493  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.583   0.640   0.434  0.00  0.00    +0.008 A 
ENDBRANCH   2   3
BRANCH   1   9
ATOM      9  S   LIG    1        2.544  -1.519  -0.542  0.00  0.00    -0.122 S 
BRANCH   9  10
ATOM     10  C   LIG    1        3.773  -0.185  -0.539  0.00  0.00    +0.194 C 
BRANCH  10  12
ATOM     11  O   LIG    1        4.680  -0.047   1.722  0.00  0.00    -0.250 OA
ATOM     12  C   LIG    1        3.950   0.383   0.844  0.00  0.00    +0.315 C 
BRANCH  12  13
ATOM     13  O   LIG    1        3.186   1.473   1.073  0.00  0.00    -0.480 OA
ATOM     14  H   LIG    1        3.386   1.702   2.006  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   1   9
TORSDOF 5