REMARK  Name = BDB057077
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.372   2.967   1.611  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -2.654   3.673   2.280  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -1.027   2.748   1.677  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1       -0.468   2.035   0.657  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1       -0.918   2.242  -0.224  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1       -0.382   3.239   2.599  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.340   0.594  -0.528  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.262   1.145   0.182  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -3.398   2.357   0.865  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -4.643   2.997   0.862  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -5.719   2.462   0.151  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -5.565   1.268  -0.550  0.00  0.00    +0.010 A 
BRANCH   7  15
ATOM     13  C   LIG    1       -5.840  -2.057   0.067  0.00  0.00    +0.173 C 
ATOM     14  N   LIG    1       -4.864  -1.829  -0.974  0.00  0.00    -0.267 N 
ATOM     15  C   LIG    1       -4.173  -0.668  -1.240  0.00  0.00    +0.069 A 
ATOM     16  C   LIG    1       -3.312  -0.994  -2.272  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1       -3.587  -2.337  -2.576  0.00  0.00    +0.135 A 
ATOM     18  N   LIG    1       -4.539  -2.849  -1.795  0.00  0.00    -0.179 NA
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1        0.975   1.808   0.586  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1        1.355   1.241  -0.794  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1        2.594   0.338  -0.760  0.00  0.00    +0.086 C 
ATOM     22  N   LIG    1        3.525   0.810   0.254  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1        2.991   0.691   1.614  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1        1.468   0.864   1.685  0.00  0.00    +0.038 C 
BRANCH  22  25
ATOM     25  C   LIG    1        4.902   0.321   0.107  0.00  0.00    +0.119 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.113  -1.176   0.214  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        4.974  -2.002  -0.912  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        5.172  -3.380  -0.813  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        5.516  -3.950   0.411  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.665  -3.142   1.536  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.467  -1.763   1.437  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH   4  19
TORSDOF 5