REMARK  Name = BDB037131
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.660  -1.102  -1.550  0.00  0.00    -0.181 N 
ATOM      2  H   LIG    1       -0.037  -0.963  -2.338  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.425  -0.536  -0.291  0.00  0.00    +0.263 C 
ATOM      4  O   LIG    1       -1.278  -0.458   0.579  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.936   0.028  -0.082  0.00  0.00    +0.042 A 
ATOM      6  C   LIG    1        2.045  -0.391  -0.825  0.00  0.00    +0.059 A 
ATOM      7  C   LIG    1        3.295   0.190  -0.593  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        3.460   1.215   0.349  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        2.343   1.618   1.098  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        1.094   1.026   0.887  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  O   LIG    1        4.368  -0.191  -1.355  0.00  0.00    -0.495 OA
ATOM     12  C   LIG    1        4.801  -1.510  -1.016  0.00  0.00    +0.277 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        4.808   1.850   0.593  0.00  0.00    +0.182 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.501   1.227   1.714  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        6.367   0.212   1.505  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.822  -0.074   2.727  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.269   0.759   3.715  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.425   1.600   3.029  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -2.075  -1.872  -1.989  0.00  0.00    +0.078 S 
ATOM     20  O   LIG    1       -2.208  -3.023  -1.127  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.984  -2.018  -3.428  0.00  0.00    -0.150 OA
BRANCH  19  26
ATOM     22  C   LIG    1       -5.259   1.340  -1.238  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1       -4.094   1.615  -1.972  0.00  0.00    +0.085 A 
ATOM     24 CL   LIG    1       -3.788   3.187  -2.626  0.00  0.00    -0.080 Cl
ATOM     25  C   LIG    1       -3.142   0.621  -2.203  0.00  0.00    +0.056 A 
ATOM     26  C   LIG    1       -3.332  -0.665  -1.680  0.00  0.00    +0.152 A 
ATOM     27  C   LIG    1       -4.480  -0.949  -0.945  0.00  0.00    +0.150 A 
ATOM     28  C   LIG    1       -5.447   0.047  -0.740  0.00  0.00    +0.094 A 
BRANCH  22  30
ATOM     29  C   LIG    1       -7.338   2.113  -0.348  0.00  0.00    +0.277 C 
ATOM     30  O   LIG    1       -6.142   2.374  -1.071  0.00  0.00    -0.494 OA
ENDBRANCH  22  30
BRANCH  27  31
ATOM     31  O   LIG    1       -4.760  -2.209  -0.497  0.00  0.00    -0.493 OA
ATOM     32  C   LIG    1       -4.514  -2.321   0.907  0.00  0.00    +0.277 C 
ENDBRANCH  27  31
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 8