REMARK  Name = BDB063790
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.444   0.970  -0.982  0.00  0.00    -0.123 NA
ATOM      2  H   LIG    1        0.732   1.240  -0.037  0.00  0.00    +0.168 HD
ENDROOT
BRANCH   1   3
ATOM      3  S   LIG    1        1.794   0.530  -1.968  0.00  0.00    +0.071 S 
ATOM      4  O   LIG    1        2.148   1.607  -2.867  0.00  0.00    -0.152 OA
ATOM      5  O   LIG    1        1.607  -0.832  -2.424  0.00  0.00    -0.152 OA
BRANCH   3   6
ATOM      6  C   LIG    1        3.071   0.476  -0.720  0.00  0.00    +0.109 A 
ATOM      7  C   LIG    1        3.359  -0.735  -0.082  0.00  0.00    +0.056 A 
ATOM      8  C   LIG    1        4.367  -0.765   0.878  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1        5.082   0.397   1.192  0.00  0.00    +0.066 A 
ATOM     10  N   LIG    1        6.090   0.354   2.159  0.00  0.00    -0.316 N 
ATOM     11  H   LIG    1        6.621   1.181   2.395  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        6.435  -0.792   2.842  0.00  0.00    +0.314 A 
ATOM     13  C   LIG    1        5.645  -2.078   2.493  0.00  0.00    +0.314 A 
ATOM     14  O   LIG    1        5.878  -3.143   3.048  0.00  0.00    -0.262 OA
ATOM     15  O   LIG    1        7.321  -0.793   3.686  0.00  0.00    -0.262 OA
ATOM     16  C   LIG    1        4.799   1.599   0.543  0.00  0.00    +0.030 A 
ATOM     17  N   LIG    1        4.664  -1.963   1.531  0.00  0.00    -0.316 N 
ATOM     18  H   LIG    1        4.167  -2.816   1.310  0.00  0.00    +0.169 HD
ATOM     19  C   LIG    1        3.790   1.640  -0.422  0.00  0.00    +0.031 A 
ENDBRANCH   3   6
ENDBRANCH   1   3
BRANCH   1  20
ATOM     20  N   LIG    1       -0.350   1.980  -1.621  0.00  0.00    -0.207 NA
ATOM     21  H   LIG    1       -0.736   2.578  -0.878  0.00  0.00    +0.145 HD
BRANCH  20  27
ATOM     22  C   LIG    1       -2.844  -1.861  -1.008  0.00  0.00    +0.061 C 
ATOM     23  C   LIG    1       -2.381  -0.719  -1.853  0.00  0.00    +0.019 C 
ATOM     24  N   LIG    1       -2.348   0.608  -1.415  0.00  0.00    -0.244 N 
ATOM     25  C   LIG    1       -2.913   1.206  -0.293  0.00  0.00    +0.253 C 
ATOM     26  O   LIG    1       -2.554   2.312   0.118  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1       -1.567   1.480  -2.301  0.00  0.00    +0.228 C 
ATOM     28  S   LIG    1       -1.258   0.529  -3.823  0.00  0.00    -0.092 S 
ATOM     29  C   LIG    1       -1.842  -0.914  -3.068  0.00  0.00    +0.062 C 
BRANCH  25  30
ATOM     30  C   LIG    1       -4.034   0.564   0.418  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1       -5.236   0.310  -0.253  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1       -6.307  -0.251   0.444  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -6.181  -0.538   1.804  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -4.990  -0.254   2.477  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1       -3.916   0.308   1.787  0.00  0.00    +0.013 A 
ENDBRANCH  25  30
ENDBRANCH  20  27
ENDBRANCH   1  20
TORSDOF 5