REMARK  Name = BDB036468
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.525   0.260   0.916  0.00  0.00    +0.188 A 
ATOM      2  C   LIG    1       -0.871   0.320   0.659  0.00  0.00    +0.068 A 
ATOM      3  C   LIG    1       -0.951   0.362  -0.719  0.00  0.00    +0.171 A 
ATOM      4  C   LIG    1       -2.139   0.424  -1.441  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -3.332   0.448  -0.704  0.00  0.00    +0.078 A 
ATOM      6  C   LIG    1       -3.284   0.410   0.718  0.00  0.00    +0.142 A 
ATOM      7  O   LIG    1        0.302   0.328  -1.243  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1       -2.061   0.344   1.409  0.00  0.00    +0.062 A 
ATOM      9  N   LIG    1        1.230   0.257  -0.218  0.00  0.00    -0.061 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1        1.084   0.170   2.181  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1        0.505   0.114   3.011  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1        2.718   0.335   2.504  0.00  0.00    +0.077 S 
ATOM     13  O   LIG    1        3.150   1.583   1.917  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1        2.832   0.108   3.933  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1        4.609  -0.951   0.930  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        3.459  -1.065   1.710  0.00  0.00    +0.150 A 
ATOM     17  C   LIG    1        2.854  -2.321   1.886  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1        3.396  -3.453   1.275  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        4.549  -3.339   0.502  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        5.160  -2.095   0.341  0.00  0.00    +0.047 A 
BRANCH  15  21
ATOM     21  O   LIG    1        5.290   0.228   0.811  0.00  0.00    -0.490 OA
BRANCH  21  23
ATOM     22  C   LIG    1        5.735   2.182  -0.489  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1        5.104   0.802  -0.490  0.00  0.00    +0.226 C 
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   6  24
ATOM     24  O   LIG    1       -4.520   0.440   1.331  0.00  0.00    -0.493 OA
ATOM     25  C   LIG    1       -4.544   0.475   2.753  0.00  0.00    +0.277 C 
ENDBRANCH   6  24
BRANCH   5  26
ATOM     26  N   LIG    1       -4.612   0.507  -1.318  0.00  0.00    -0.295 N 
ATOM     27  H   LIG    1       -5.329   0.525  -0.597  0.00  0.00    +0.154 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -5.000   0.544  -2.612  0.00  0.00    +0.145 A 
ATOM     29  N   LIG    1       -4.236   0.521  -3.707  0.00  0.00    -0.159 NA
ATOM     30  N   LIG    1       -5.101   0.580  -4.729  0.00  0.00    -0.283 N 
ATOM     31  H   LIG    1       -4.728   0.577  -5.672  0.00  0.00    +0.188 HD
ATOM     32  C   LIG    1       -6.402   0.635  -4.337  0.00  0.00    +0.107 A 
ATOM     33  C   LIG    1       -6.372   0.614  -2.964  0.00  0.00    +0.064 A 
ENDBRANCH  26  28
ENDBRANCH   5  26
TORSDOF 8