REMARK  Name = BDB037221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.622  -1.223   1.015  0.00  0.00    -0.180 N 
ATOM      2  H   LIG    1       -0.373  -0.552   1.739  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1        0.362  -1.557   0.076  0.00  0.00    +0.281 C 
ATOM      4  O   LIG    1        0.156  -2.192  -0.945  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.713  -1.034   0.451  0.00  0.00    +0.131 A 
ATOM      6  N   LIG    1        1.754  -0.206   1.534  0.00  0.00    -0.208 NA
ATOM      7  C   LIG    1        2.964   0.288   1.872  0.00  0.00    +0.220 A 
ATOM      8  C   LIG    1        4.144  -0.017   1.196  0.00  0.00    +0.035 A 
ATOM      9  C   LIG    1        4.056  -0.874   0.088  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        2.825  -1.391  -0.297  0.00  0.00    +0.033 A 
BRANCH   7  11
ATOM     11  O   LIG    1        3.056   1.150   2.946  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        1.805   1.424   3.571  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.470   0.570   1.599  0.00  0.00    +0.184 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.858   1.647   0.699  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.684   1.395  -0.338  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.816   2.583  -0.932  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.084   3.592  -0.283  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.476   2.957   0.773  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.242  -1.506   0.851  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.890  -0.756   1.912  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -2.412  -2.940   0.769  0.00  0.00    -0.150 OA
BRANCH  19  23
ATOM     22  C   LIG    1       -2.240   0.569  -0.948  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -2.702  -0.724  -0.663  0.00  0.00    +0.191 A 
ATOM     24  C   LIG    1       -3.542  -1.360  -1.581  0.00  0.00    +0.151 A 
ATOM     25  C   LIG    1       -3.840  -0.750  -2.805  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -3.336   0.513  -3.103  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -2.538   1.175  -2.174  0.00  0.00    +0.048 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -2.160   2.302   0.571  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -1.435   1.248  -0.069  0.00  0.00    -0.493 OA
ENDBRANCH  22  29
BRANCH  24  30
ATOM     30  O   LIG    1       -4.092  -2.597  -1.371  0.00  0.00    -0.487 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -5.312  -2.520  -0.598  0.00  0.00    +0.174 C 
ATOM     32  C   LIG    1       -6.602  -2.571  -1.372  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1       -6.141  -3.775  -0.604  0.00  0.00    +0.048 C 
ENDBRANCH  30  31
ENDBRANCH  24  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 9