REMARK  Name = BDB063673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.812  -1.008   1.843  0.00  0.00    -0.020 A 
ATOM      2  C   LIG    1       -2.023  -0.059   0.788  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1       -1.054   0.947   0.906  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -0.997   2.018  -0.002  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -1.937   2.068  -1.040  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1       -2.911   1.085  -1.177  0.00  0.00    +0.121 A 
ATOM      7  N   LIG    1       -0.299   0.616   2.012  0.00  0.00    -0.218 N 
ATOM      8  C   LIG    1       -2.957   0.023  -0.266  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1       -0.722  -0.565   2.566  0.00  0.00    +0.116 A 
ENDROOT
BRANCH   7  10
ATOM     10  S   LIG    1        1.134   1.405   2.492  0.00  0.00    +0.084 S 
ATOM     11  O   LIG    1        0.881   2.825   2.343  0.00  0.00    -0.148 OA
ATOM     12  O   LIG    1        1.517   0.821   3.764  0.00  0.00    -0.148 OA
BRANCH  10  13
ATOM     13  C   LIG    1        2.318   0.892   1.275  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        2.844   1.833   0.381  0.00  0.00    +0.036 A 
ATOM     15  C   LIG    1        3.757   1.385  -0.557  0.00  0.00    -0.001 A 
ATOM     16  C   LIG    1        4.516   2.143  -1.576  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1        5.065   0.971  -2.392  0.00  0.00    +0.234 C 
ATOM     18  O   LIG    1        5.071  -0.220  -1.569  0.00  0.00    -0.491 OA
ATOM     19  C   LIG    1        4.148   0.054  -0.594  0.00  0.00    +0.124 A 
ATOM     20  C   LIG    1        3.662  -0.881   0.298  0.00  0.00    +0.048 A 
ATOM     21  C   LIG    1        2.731  -0.456   1.247  0.00  0.00    +0.032 A 
ENDBRANCH  10  13
ENDBRANCH   7  10
BRANCH   6  22
ATOM     22  O   LIG    1       -3.872   1.036  -2.150  0.00  0.00    -0.495 OA
ATOM     23  C   LIG    1       -3.930   2.131  -3.055  0.00  0.00    +0.277 C 
ENDBRANCH   6  22
BRANCH   1  24
ATOM     24  C   LIG    1       -2.607  -2.250   2.107  0.00  0.00    +0.048 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.171  -3.406   1.211  0.00  0.00    +0.125 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.975  -4.649   1.494  0.00  0.00    +0.305 C 
ATOM     27  O   LIG    1       -3.826  -4.756   2.362  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -2.648  -5.672   0.671  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1       -1.955  -5.453   0.021  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7