REMARK  Name = BDB000437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.910   0.297   0.769  0.00  0.00    +0.220 C 
ATOM      2  N   LIG    1       -0.429  -0.025   0.730  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.239  -0.394  -0.438  0.00  0.00    +0.184 C 
ATOM      4  C   LIG    1       -2.590  -0.833   0.146  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1       -2.326  -1.019   1.636  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1       -1.239  -0.002   1.931  0.00  0.00    +0.109 C 
ATOM      7  O   LIG    1        1.444   0.685   1.810  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   9
ATOM      8  C   LIG    1        2.193  -1.384  -0.520  0.00  0.00    +0.018 C 
ATOM      9  C   LIG    1        1.736   0.078  -0.498  0.00  0.00    +0.082 C 
BRANCH   9  10
ATOM     10  C   LIG    1        2.962   1.000  -0.534  0.00  0.00    +0.078 C 
BRANCH  10  11
ATOM     11  S   LIG    1        2.503   2.731  -0.869  0.00  0.00    -0.178 S 
ATOM     12  H   LIG    1        1.870   2.944   0.297  0.00  0.00    +0.102 HD
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   3  13
ATOM     13  C   LIG    1       -1.472   0.798  -1.367  0.00  0.00    +0.325 C 
ATOM     14  O   LIG    1       -1.493   1.980  -1.065  0.00  0.00    -0.249 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -1.704   0.418  -2.641  0.00  0.00    -0.479 OA
ATOM     16  H   LIG    1       -1.834   1.266  -3.118  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH   3  13
TORSDOF 5