REMARK  Name = BDB037215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.498   1.433  -1.455  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1        0.328   1.936  -1.144  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.387   0.066  -1.768  0.00  0.00    +0.300 C 
ATOM      4  O   LIG    1       -1.345  -0.663  -1.976  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.049  -0.408  -1.769  0.00  0.00    +0.220 A 
ATOM      6  N   LIG    1        1.987   0.526  -1.478  0.00  0.00    -0.188 NA
ATOM      7  C   LIG    1        3.259   0.089  -1.475  0.00  0.00    +0.223 A 
ATOM      8  C   LIG    1        3.628  -1.216  -1.744  0.00  0.00    +0.053 A 
ATOM      9  C   LIG    1        2.581  -2.084  -1.993  0.00  0.00    +0.124 A 
ATOM     10  N   LIG    1        1.288  -1.709  -2.018  0.00  0.00    -0.231 NA
BRANCH   7  11
ATOM     11  O   LIG    1        4.273   0.982  -1.184  0.00  0.00    -0.479 OA
ATOM     12  C   LIG    1        3.816   2.297  -0.873  0.00  0.00    +0.279 C 
ENDBRANCH   7  11
BRANCH   8  13
ATOM     13  C   LIG    1        5.049  -1.690  -1.719  0.00  0.00    +0.185 C 
BRANCH  13  14
ATOM     14  N   LIG    1        5.398  -2.210  -0.407  0.00  0.00    -0.267 N 
ATOM     15  N   LIG    1        5.159  -3.510  -0.118  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.595  -3.639   1.137  0.00  0.00    +0.134 A 
ATOM     17  C   LIG    1        6.103  -2.431   1.652  0.00  0.00    +0.041 A 
ATOM     18  C   LIG    1        5.962  -1.524   0.628  0.00  0.00    +0.108 A 
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  S   LIG    1       -1.902   2.299  -1.356  0.00  0.00    +0.082 S 
ATOM     20  O   LIG    1       -2.499   2.208  -2.673  0.00  0.00    -0.150 OA
ATOM     21  O   LIG    1       -1.516   3.587  -0.808  0.00  0.00    -0.150 OA
BRANCH  19  25
ATOM     22  C   LIG    1       -4.616   0.279   1.742  0.00  0.00    +0.127 A 
ATOM     23  C   LIG    1       -3.234   0.235   1.905  0.00  0.00    +0.093 A 
ATOM     24  C   LIG    1       -2.378   0.837   0.965  0.00  0.00    +0.154 A 
ATOM     25  C   LIG    1       -2.935   1.518  -0.136  0.00  0.00    +0.191 A 
ATOM     26  C   LIG    1       -4.335   1.605  -0.282  0.00  0.00    +0.154 A 
ATOM     27  C   LIG    1       -5.157   0.967   0.656  0.00  0.00    +0.093 A 
BRANCH  22  29
ATOM     28  C   LIG    1       -5.063  -1.176   3.577  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1       -5.542  -0.279   2.580  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
BRANCH  24  30
ATOM     30  O   LIG    1       -1.011   0.820   1.117  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1       -0.459  -0.299   1.825  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
BRANCH  26  32
ATOM     32  O   LIG    1       -4.826   2.342  -1.324  0.00  0.00    -0.493 OA
ATOM     33  C   LIG    1       -6.247   2.461  -1.474  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 9