REMARK  Name = BDB034890
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.559   0.052   0.533  0.00  0.00    -0.152 NA
ATOM      2  C   LIG    1        0.035  -0.009  -0.648  0.00  0.00    +0.166 A 
ATOM      3  N   LIG    1       -1.145   0.611  -1.060  0.00  0.00    -0.319 N 
ATOM      4  C   LIG    1       -1.431   0.455  -2.431  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -0.532  -0.297  -3.092  0.00  0.00    +0.072 A 
ATOM      6  S   LIG    1        0.741  -0.865  -2.053  0.00  0.00    -0.060 S 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.684  -1.887   0.949  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.697  -0.676   0.770  0.00  0.00    +0.270 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.965   0.098   0.861  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        4.214  -0.554   0.894  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        5.341   0.259   0.972  0.00  0.00    +0.139 A 
ATOM     12  N   LIG    1        6.449  -0.543   0.990  0.00  0.00    -0.346 N 
ATOM     13  H   LIG    1        7.394  -0.191   1.045  0.00  0.00    +0.167 HD
ATOM     14  C   LIG    1        6.072  -1.859   0.922  0.00  0.00    +0.085 A 
ATOM     15  N   LIG    1        5.385   1.602   1.022  0.00  0.00    -0.237 NA
ATOM     16  C   LIG    1        4.164   2.176   0.992  0.00  0.00    +0.114 A 
ATOM     17  C   LIG    1        4.695  -1.896   0.861  0.00  0.00    +0.030 A 
ATOM     18  C   LIG    1        2.957   1.500   0.913  0.00  0.00    +0.033 A 
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -1.978   1.330  -0.095  0.00  0.00    +0.159 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.063   0.460   0.510  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1       -4.411   0.841   0.410  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -5.420   0.060   0.976  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.097  -1.107   1.662  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.764  -1.492   1.785  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.754  -0.712   1.218  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   3  19
BRANCH   4  26
ATOM     26  C   LIG    1       -2.598   1.105  -3.116  0.00  0.00    +0.209 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -3.835   0.616  -2.626  0.00  0.00    -0.389 OA
ATOM     28  H   LIG    1       -3.671  -0.235  -2.178  0.00  0.00    +0.210 HD
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 6