REMARK  Name = BDB037217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.438  -0.562  -1.223  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.961  -1.457  -1.325  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.760   0.487  -0.576  0.00  0.00    +0.300 C 
ATOM      4  O   LIG    1       -1.296   1.531  -0.235  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.695   0.179  -0.325  0.00  0.00    +0.220 A 
ATOM      6  N   LIG    1        1.446   1.135   0.246  0.00  0.00    -0.188 NA
ATOM      7  C   LIG    1        2.733   0.816   0.459  0.00  0.00    +0.223 A 
ATOM      8  C   LIG    1        3.287  -0.410   0.146  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        2.422  -1.310  -0.447  0.00  0.00    +0.124 A 
ATOM     10  N   LIG    1        1.122  -1.055  -0.686  0.00  0.00    -0.231 NA
BRANCH   7  11
ATOM     11  O   LIG    1        3.569   1.756   1.030  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        2.933   3.008   1.282  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.726  -0.745   0.377  0.00  0.00    +0.185 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.487  -0.632  -0.858  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.545  -1.679  -1.706  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.306  -1.231  -2.708  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.737   0.093  -2.502  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        6.192   0.454  -1.293  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -3.069  -0.611  -1.514  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -3.353   0.479  -2.422  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -3.364  -1.979  -1.897  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -4.816   0.604   0.260  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -3.808  -0.346   0.071  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1       -3.383  -1.118   1.163  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -3.923  -0.903   2.436  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -4.929   0.042   2.616  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -5.386   0.782   1.527  0.00  0.00    +0.048 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -4.872   2.657  -0.782  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -5.356   1.311  -0.778  0.00  0.00    -0.493 OA
ENDBRANCH  22  29
BRANCH  24  30
ATOM     30  O   LIG    1       -2.385  -2.049   1.026  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1       -2.912  -3.376   1.128  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 8