REMARK  Name = BDB052681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.006   0.584   1.111  0.00  0.00    +0.284 C 
ATOM      2  N   LIG    1        0.899   0.215   0.092  0.00  0.00    -0.175 N 
ATOM      3  C   LIG    1        2.221  -0.191   0.181  0.00  0.00    +0.098 A 
ATOM      4  C   LIG    1        2.599  -0.362  -1.145  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        3.901  -0.787  -1.447  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        4.790  -1.028  -0.392  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        4.391  -0.849   0.934  0.00  0.00    +0.002 A 
ATOM      8  N   LIG    1        1.555  -0.058  -1.970  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        3.095  -0.426   1.251  0.00  0.00    +0.030 A 
ATOM     10  N   LIG    1        0.528   0.308  -1.216  0.00  0.00    -0.057 NA
ATOM     11  O   LIG    1        0.445   0.699   2.257  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  13
ATOM     12  C   LIG    1       -2.268  -0.031   0.244  0.00  0.00    +0.132 A 
ATOM     13  C   LIG    1       -1.422   0.889   0.880  0.00  0.00    +0.083 A 
ATOM     14  C   LIG    1       -1.914   2.119   1.336  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -3.252   2.449   1.127  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.096   1.546   0.482  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -3.610   0.307   0.050  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -2.321  -1.897  -1.209  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -1.739  -1.252  -0.079  0.00  0.00    -0.494 OA
ENDBRANCH  12  19
ENDBRANCH   1  13
TORSDOF 2