REMARK  Name = BDB003063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.578  -0.455  -0.812  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        0.251  -0.899  -0.747  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -0.774  -0.028  -0.361  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -0.472   1.305  -0.025  0.00  0.00    +0.081 A 
ATOM      5  C   LIG    1        0.858   1.749  -0.094  0.00  0.00    +0.017 A 
ATOM      6  C   LIG    1        1.877   0.873  -0.483  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.620  -1.431  -1.229  0.00  0.00    +0.339 C 
ATOM      8  O   LIG    1        2.373  -2.589  -1.525  0.00  0.00    -0.245 OA
BRANCH   7  10
ATOM      9  C   LIG    1        4.902  -1.734  -1.620  0.00  0.00    +0.280 C 
ATOM     10  O   LIG    1        3.846  -0.852  -1.233  0.00  0.00    -0.464 OA
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  11
ATOM     11  N   LIG    1       -2.101  -0.571  -0.220  0.00  0.00    -0.220 N 
ATOM     12  H   LIG    1       -2.841   0.144  -0.326  0.00  0.00    +0.173 HD
BRANCH  11  13
ATOM     13  S   LIG    1       -2.413  -1.385   1.242  0.00  0.00    +0.040 S 
ATOM     14  O   LIG    1       -1.302  -1.202   2.149  0.00  0.00    -0.155 OA
ATOM     15  O   LIG    1       -3.764  -1.033   1.619  0.00  0.00    -0.155 OA
ATOM     16  C   LIG    1       -2.437  -3.075   0.687  0.00  0.00    +0.218 C 
ENDBRANCH  11  13
ENDBRANCH   3  11
BRANCH   4  17
ATOM     17  C   LIG    1       -1.564   2.237   0.353  0.00  0.00    +0.341 C 
ATOM     18  O   LIG    1       -2.736   2.034   0.068  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -1.080   3.298   1.041  0.00  0.00    -0.464 OA
ATOM     20  C   LIG    1       -2.086   4.214   1.478  0.00  0.00    +0.280 C 
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 6