REMARK  Name = BDB032564
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.010   0.430   0.574  0.00  0.00    +0.173 A 
ATOM      2  O   LIG    1        0.296  -0.712   0.803  0.00  0.00    -0.353 OA
ATOM      3  N   LIG    1       -0.962  -0.393   1.275  0.00  0.00    -0.061 NA
ATOM      4  C   LIG    1       -1.005   0.938   1.329  0.00  0.00    +0.181 A 
ATOM      5  C   LIG    1        0.212   1.504   0.898  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        3.049   1.260  -0.648  0.00  0.00    +0.131 A 
ATOM      7  C   LIG    1        2.373   0.252   0.068  0.00  0.00    +0.062 A 
ATOM      8  C   LIG    1        3.041  -0.969   0.308  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        4.353  -1.229  -0.130  0.00  0.00    -0.043 A 
ATOM     10  C   LIG    1        4.988  -0.198  -0.834  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        4.354   1.024  -1.090  0.00  0.00    +0.046 A 
BRANCH   9  12
ATOM     12  C   LIG    1        5.000  -2.568   0.172  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1        5.946  -3.221  -0.806  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1        6.472  -2.672   0.490  0.00  0.00    +0.009 C 
ENDBRANCH   9  12
BRANCH   6  16
ATOM     15  C   LIG    1        3.004   3.423  -1.674  0.00  0.00    +0.277 C 
ATOM     16  O   LIG    1        2.369   2.429  -0.879  0.00  0.00    -0.494 OA
ENDBRANCH   6  16
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  N   LIG    1       -2.098   1.682   1.740  0.00  0.00    -0.197 N 
ATOM     18  H   LIG    1       -2.119   2.682   1.565  0.00  0.00    +0.175 HD
BRANCH  17  19
ATOM     19  S   LIG    1       -3.615   1.037   2.038  0.00  0.00    +0.081 S 
ATOM     20  O   LIG    1       -3.474   0.109   3.141  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -4.508   2.176   2.157  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1       -4.052   0.201   0.541  0.00  0.00    +0.191 A 
ATOM     23  C   LIG    1       -4.526  -1.114   0.547  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1       -4.852  -1.747  -0.660  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1       -4.677  -1.086  -1.874  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -4.212   0.227  -1.885  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1       -3.930   0.880  -0.681  0.00  0.00    +0.150 A 
BRANCH  23  28
ATOM     28  O   LIG    1       -4.804  -1.777   1.710  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -3.848  -2.810   1.958  0.00  0.00    +0.277 C 
ENDBRANCH  23  28
BRANCH  27  30
ATOM     30  O   LIG    1       -3.481   2.177  -0.726  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1       -4.535   3.067  -1.103  0.00  0.00    +0.277 C 
ENDBRANCH  27  30
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 8