REMARK  Name = BDB056905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.506   4.189   1.112  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -0.780   2.734   0.875  0.00  0.00    -0.049 A 
ATOM      3  C   LIG    1       -2.082   2.240   0.914  0.00  0.00    +0.017 A 
ATOM      4  C   LIG    1       -2.350   0.872   0.721  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -1.311  -0.038   0.504  0.00  0.00    +0.065 A 
ATOM      6  N   LIG    1       -1.519  -1.424   0.361  0.00  0.00    -0.321 N 
ATOM      7  H   LIG    1       -0.696  -2.024   0.450  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -2.601  -2.181   0.009  0.00  0.00    +0.257 A 
ATOM      9  C   LIG    1       -3.853  -1.607  -0.514  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -4.400  -0.399  -0.111  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -5.649   0.014  -0.613  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -6.340  -0.769  -1.537  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.794  -1.977  -1.954  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.565  -2.396  -1.441  0.00  0.00    +0.014 A 
ATOM     15  O   LIG    1       -2.485  -3.407   0.033  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        0.028   0.449   0.510  0.00  0.00    +0.063 A 
ATOM     17  C   LIG    1       -3.763   0.491   0.860  0.00  0.00    +0.196 A 
ATOM     18  O   LIG    1       -4.453   1.028   1.723  0.00  0.00    -0.287 OA
ATOM     19  C   LIG    1        0.265   1.829   0.688  0.00  0.00    +0.018 A 
ENDROOT
BRANCH  16  20
ATOM     20  C   LIG    1        1.176  -0.446   0.334  0.00  0.00    +0.251 A 
ATOM     21  O   LIG    1        2.421   0.122   0.238  0.00  0.00    -0.416 OA
ATOM     22  C   LIG    1        3.226  -0.979   0.085  0.00  0.00    +0.249 A 
ATOM     23  N   LIG    1        2.542  -2.105   0.087  0.00  0.00    -0.107 NA
ATOM     24  N   LIG    1        1.217  -1.761   0.247  0.00  0.00    -0.107 NA
BRANCH  22  25
ATOM     25  C   LIG    1        4.659  -0.752  -0.051  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        5.523  -1.847  -0.207  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        6.901  -1.659  -0.339  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        7.434  -0.372  -0.318  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.591   0.726  -0.164  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.212   0.538  -0.032  0.00  0.00    +0.013 A 
ENDBRANCH  22  25
ENDBRANCH  16  20
TORSDOF 2