REMARK  Name = BDB029479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.796  -1.908   0.094  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.712  -1.337   0.039  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.631  -1.800   0.744  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.791  -2.690   1.198  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.313  -1.547   0.443  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -1.449  -2.363   0.748  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -2.034  -0.215  -0.249  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.600  -0.159  -0.822  0.00  0.00    +0.125 C 
ATOM      9  N   LIG    1        0.144   0.683   0.107  0.00  0.00    -0.284 N 
ATOM     10  C   LIG    1       -0.621   0.972   1.301  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1       -2.059   0.921   0.792  0.00  0.00    +0.037 C 
ATOM     12  C   LIG    1       -3.088  -0.035  -1.349  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -4.498  -0.085  -0.777  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        1.488   0.620   0.185  0.00  0.00    +0.291 A 
ATOM     15  O   LIG    1        2.152   0.091  -0.891  0.00  0.00    -0.424 OA
ATOM     16  C   LIG    1        3.466   0.167  -0.538  0.00  0.00    +0.157 A 
ATOM     17  C   LIG    1        3.532   0.739   0.720  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        4.787   0.930   1.312  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        5.925   0.528   0.596  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        5.813  -0.049  -0.677  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        4.565  -0.245  -1.282  0.00  0.00    +0.048 A 
ATOM     22  N   LIG    1        2.268   1.026   1.166  0.00  0.00    -0.195 NA
ENDBRANCH   9  14
TORSDOF 1