REMARK  Name = BDB012651
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.572  -2.830   0.516  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -1.211  -2.416   0.272  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1       -0.755  -1.119   0.159  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        0.611  -1.258  -0.070  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        0.962  -2.600  -0.094  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.151  -3.260   0.114  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.596  -0.193  -0.267  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1        1.153   1.094  -0.227  0.00  0.00    -0.251 NA
ATOM      9  C   LIG    1        2.029   2.122  -0.404  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1        3.377   1.857  -0.627  0.00  0.00    +0.130 A 
ATOM     11  C   LIG    1        3.798   0.535  -0.663  0.00  0.00    +0.089 A 
ATOM     12  N   LIG    1        5.138   0.640  -0.895  0.00  0.00    -0.257 N 
ATOM     13  H   LIG    1        5.832  -0.091  -0.994  0.00  0.00    +0.191 HD
ATOM     14  N   LIG    1        5.528   1.923  -0.996  0.00  0.00    -0.067 NA
ATOM     15  N   LIG    1        4.451   2.682  -0.833  0.00  0.00    -0.128 NA
ATOM     16  C   LIG    1        2.932  -0.539  -0.486  0.00  0.00    +0.059 A 
ENDBRANCH   4   7
BRANCH   3  17
ATOM     17  C   LIG    1       -1.619   0.049   0.275  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -1.836   0.643   1.526  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1       -2.673   1.754   1.638  0.00  0.00    +0.039 A 
ATOM     20  C   LIG    1       -3.288   2.265   0.500  0.00  0.00    +0.123 A 
ATOM     21  F   LIG    1       -4.092   3.331   0.609  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -3.080   1.689  -0.748  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1       -2.243   0.579  -0.862  0.00  0.00    +0.013 A 
ENDBRANCH   3  17
TORSDOF 2