REMARK  Name = BDB053477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.522   0.054  -0.322  0.00  0.00    +0.168 A 
ATOM      2  C   LIG    1       -0.363   0.969   0.388  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1       -1.519   0.507   0.966  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -2.125   1.598   1.547  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -1.278   2.659   1.270  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -1.834  -0.832   0.865  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -0.982  -1.641   0.209  0.00  0.00    +0.133 A 
ATOM      8  N   LIG    1       -0.179   2.261   0.548  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1        0.190  -1.213  -0.390  0.00  0.00    -0.219 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -3.452   1.687   2.344  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -3.966   2.847   2.876  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -5.133   2.498   3.491  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1       -5.785   3.094   3.992  0.00  0.00    +0.188 HD
ATOM     14  N   LIG    1       -5.414   1.190   3.396  0.00  0.00    -0.182 NA
ATOM     15  C   LIG    1       -4.387   0.695   2.698  0.00  0.00    +0.144 A 
ENDBRANCH   4  10
BRANCH   7  16
ATOM     16  S   LIG    1       -1.408  -3.380   0.058  0.00  0.00    +0.005 S 
ATOM     17  O   LIG    1       -2.545  -3.698   1.228  0.00  0.00    -0.156 OA
ATOM     18  C   LIG    1        0.170  -4.063   0.619  0.00  0.00    +0.114 C 
ENDBRANCH   7  16
BRANCH   1  19
ATOM     19  N   LIG    1        1.674   0.575  -0.888  0.00  0.00    -0.290 N 
ATOM     20  H   LIG    1        1.750   1.578  -0.719  0.00  0.00    +0.154 HD
BRANCH  19  25
ATOM     21  C   LIG    1        5.921   0.052  -3.487  0.00  0.00    +0.066 C 
ATOM     22  C   LIG    1        4.639  -0.292  -2.816  0.00  0.00    +0.049 A 
ATOM     23  N   LIG    1        4.223  -1.556  -2.855  0.00  0.00    -0.214 NA
ATOM     24  S   LIG    1        2.786  -1.672  -2.045  0.00  0.00    +0.027 S 
ATOM     25  C   LIG    1        2.668  -0.015  -1.602  0.00  0.00    +0.091 A 
ATOM     26  C   LIG    1        3.787   0.619  -2.115  0.00  0.00    +0.055 A 
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 4