REMARK  Name = BDB032561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.599   0.018  -2.078  0.00  0.00    -0.197 N 
ATOM      2  H   LIG    1       -0.474  -0.896  -2.499  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        1.489   0.213   0.782  0.00  0.00    +0.173 A 
ATOM      4  O   LIG    1        0.690   1.310   0.925  0.00  0.00    -0.353 OA
ATOM      5  N   LIG    1       -0.196   1.385  -0.132  0.00  0.00    -0.061 NA
ATOM      6  C   LIG    1        0.070   0.334  -0.907  0.00  0.00    +0.181 A 
ATOM      7  C   LIG    1        1.122  -0.438  -0.374  0.00  0.00    +0.098 A 
BRANCH   3   9
ATOM      8  C   LIG    1        3.660  -0.747   1.594  0.00  0.00    +0.131 A 
ATOM      9  C   LIG    1        2.491  -0.001   1.822  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1        2.302   0.543   3.105  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        3.233   0.330   4.126  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.369  -0.438   3.886  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        4.581  -0.982   2.622  0.00  0.00    +0.046 A 
BRANCH   8  14
ATOM     14  O   LIG    1        3.905  -1.308   0.363  0.00  0.00    -0.492 OA
BRANCH  14  16
ATOM     15  C   LIG    1        4.953  -1.068  -1.769  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1        4.900  -0.553  -0.342  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   8  14
ENDBRANCH   3   9
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  S   LIG    1       -1.981   0.802  -2.611  0.00  0.00    +0.081 S 
ATOM     18  O   LIG    1       -1.620   2.184  -2.849  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -2.497  -0.011  -3.697  0.00  0.00    -0.150 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -3.129   0.654  -1.272  0.00  0.00    +0.191 A 
ATOM     21  C   LIG    1       -3.348  -0.607  -0.697  0.00  0.00    +0.150 A 
ATOM     22  C   LIG    1       -4.206  -0.745   0.399  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1       -4.897   0.361   0.887  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -4.725   1.605   0.284  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -3.831   1.759  -0.783  0.00  0.00    +0.150 A 
BRANCH  21  26
ATOM     26  O   LIG    1       -2.685  -1.718  -1.158  0.00  0.00    -0.493 OA
ATOM     27  C   LIG    1       -3.587  -2.611  -1.818  0.00  0.00    +0.277 C 
ENDBRANCH  21  26
BRANCH  25  28
ATOM     28  O   LIG    1       -3.770   2.981  -1.393  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -3.035   3.918  -0.603  0.00  0.00    +0.277 C 
ENDBRANCH  25  28
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 8