REMARK  Name = BDB032661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.198   0.468   0.837  0.00  0.00    +0.263 A 
ATOM      2  O   LIG    1       -0.807  -0.836   0.719  0.00  0.00    -0.331 OA
ATOM      3  N   LIG    1        0.403  -0.953   1.400  0.00  0.00    -0.038 NA
ATOM      4  C   LIG    1        0.617   0.279   1.869  0.00  0.00    +0.275 A 
ATOM      5  N   LIG    1       -0.351   1.187   1.545  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -3.153   0.112  -0.741  0.00  0.00    +0.133 A 
ATOM      7  C   LIG    1       -2.467   0.870   0.230  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1       -3.026   2.095   0.646  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -4.237   2.564   0.135  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1       -4.907   1.804  -0.816  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -4.368   0.589  -1.253  0.00  0.00    +0.050 A 
BRANCH   9  12
ATOM     12  O   LIG    1       -4.647   3.765   0.643  0.00  0.00    -0.495 OA
ATOM     13  C   LIG    1       -5.882   4.282   0.163  0.00  0.00    +0.277 C 
ENDBRANCH   9  12
BRANCH   6  14
ATOM     14  O   LIG    1       -2.567  -1.055  -1.155  0.00  0.00    -0.491 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -2.468  -3.164  -2.253  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -3.292  -1.907  -2.038  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  N   LIG    1        1.700   0.684   2.607  0.00  0.00    -0.181 N 
ATOM     18  H   LIG    1        1.824   1.682   2.731  0.00  0.00    +0.177 HD
BRANCH  17  19
ATOM     19  S   LIG    1        3.074  -0.233   2.816  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1        2.678  -1.431   3.526  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1        4.069   0.656   3.388  0.00  0.00    -0.150 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.620  -0.616   1.175  0.00  0.00    +0.191 A 
ATOM     23  C   LIG    1        3.946  -1.921   0.797  0.00  0.00    +0.150 A 
ATOM     24  C   LIG    1        4.367  -2.187  -0.513  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        4.432  -1.162  -1.455  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        4.115   0.141  -1.082  0.00  0.00    +0.048 A 
ATOM     27  C   LIG    1        3.740   0.420   0.237  0.00  0.00    +0.150 A 
BRANCH  23  28
ATOM     28  O   LIG    1        3.987  -2.946   1.701  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1        2.914  -3.867   1.492  0.00  0.00    +0.277 C 
ENDBRANCH  23  28
BRANCH  27  30
ATOM     30  O   LIG    1        3.433   1.714   0.575  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1        4.609   2.529   0.602  0.00  0.00    +0.277 C 
ENDBRANCH  27  30
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   4  17
TORSDOF 9