REMARK  Name = BDB018796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.238   0.999  -0.283  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -0.984   0.403  -0.254  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        0.243   1.084  -0.084  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        1.315   0.185  -0.164  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        2.640   0.604  -0.020  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        2.856   1.970   0.221  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1        1.786   2.873   0.297  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.824  -1.196  -0.468  0.00  0.00    +0.057 C 
ATOM      9  C   LIG    1        0.470   2.432   0.140  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.688  -1.040  -0.285  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -2.409   2.218  -0.184  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1        3.769  -0.326  -0.114  0.00  0.00    -0.018 A 
ATOM     13  C   LIG    1        4.175  -0.842  -1.354  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        5.250  -1.728  -1.442  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.935  -2.110  -0.290  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.546  -1.605   0.949  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        4.471  -0.718   1.036  0.00  0.00    +0.008 A 
ENDBRANCH   5  12
BRANCH   1  19
ATOM     18  N   LIG    1       -3.876  -0.590   0.810  0.00  0.00    -0.258 N 
ATOM     19  C   LIG    1       -3.456   0.066  -0.480  0.00  0.00    +0.170 C 
ATOM     20  C   LIG    1       -4.707   0.840  -0.916  0.00  0.00    +0.034 C 
ATOM     21  C   LIG    1       -5.324   1.288   0.394  0.00  0.00    +0.022 C 
ATOM     22  C   LIG    1       -5.118   0.087   1.299  0.00  0.00    +0.117 C 
BRANCH  18  24
ATOM     23  N   LIG    1       -3.391  -2.988   1.301  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1       -3.622  -1.874   1.092  0.00  0.00    +0.170 C 
ENDBRANCH  18  24
ENDBRANCH   1  19
TORSDOF 3