REMARK  Name = BDB056906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.198  -3.086  -2.822  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        1.536  -1.853  -2.038  0.00  0.00    -0.049 A 
ATOM      3  C   LIG    1        2.857  -1.438  -1.900  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1        3.191  -0.301  -1.138  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1        2.199   0.445  -0.494  0.00  0.00    +0.065 A 
ATOM      6  N   LIG    1        2.470   1.623   0.230  0.00  0.00    -0.321 N 
ATOM      7  H   LIG    1        1.670   2.219   0.453  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        3.594   2.123   0.823  0.00  0.00    +0.257 A 
ATOM      9  C   LIG    1        4.835   1.347   0.987  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        5.317   0.421   0.074  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1        6.561  -0.202   0.290  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        7.312   0.081   1.430  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.832   1.000   2.356  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.608   1.633   2.131  0.00  0.00    +0.014 A 
ATOM     15  O   LIG    1        3.530   3.240   1.340  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        0.842   0.039  -0.643  0.00  0.00    +0.063 A 
ATOM     17  C   LIG    1        4.615   0.062  -1.158  0.00  0.00    +0.196 A 
ATOM     18  O   LIG    1        5.258  -0.063  -2.197  0.00  0.00    -0.287 OA
ATOM     19  C   LIG    1        0.539  -1.116  -1.398  0.00  0.00    +0.018 A 
ENDROOT
BRANCH  16  20
ATOM     20  C   LIG    1       -0.259   0.784  -0.025  0.00  0.00    +0.251 A 
ATOM     21  O   LIG    1       -1.522   0.269  -0.136  0.00  0.00    -0.416 OA
ATOM     22  C   LIG    1       -2.302   1.195   0.537  0.00  0.00    +0.242 A 
ATOM     23  N   LIG    1       -1.544   2.176   1.004  0.00  0.00    -0.108 NA
ATOM     24  N   LIG    1       -0.242   1.915   0.645  0.00  0.00    -0.107 NA
BRANCH  22  25
ATOM     25  C   LIG    1       -3.710   1.087   0.694  0.00  0.00    +0.070 C 
ATOM     26  C   LIG    1       -4.401   0.056   0.184  0.00  0.00    +0.013 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.858  -0.091   0.315  0.00  0.00    -0.025 A 
ATOM     28  C   LIG    1       -6.584  -0.616  -0.762  0.00  0.00    +0.008 A 
ATOM     29  C   LIG    1       -7.967  -0.795  -0.667  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -8.634  -0.463   0.509  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -7.921   0.045   1.592  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -6.538   0.226   1.498  0.00  0.00    +0.008 A 
ENDBRANCH  26  27
ENDBRANCH  22  25
ENDBRANCH  16  20
TORSDOF 3