REMARK  Name = BDB029478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.698   1.301  -1.112  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1       -4.596   0.846  -0.823  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1       -3.477   1.195  -1.535  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1       -3.641   1.925  -2.216  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1       -2.187   1.143  -1.062  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1       -1.348   1.931  -1.486  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -1.903   0.058  -0.026  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.535   0.268   0.659  0.00  0.00    +0.125 C 
ATOM      9  N   LIG    1        0.353  -0.707   0.034  0.00  0.00    -0.284 N 
ATOM     10  C   LIG    1       -0.274  -1.360  -1.096  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1       -1.754  -1.304  -0.732  0.00  0.00    +0.037 C 
ATOM     12  C   LIG    1       -3.052   0.077   0.989  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1       -4.397  -0.135   0.307  0.00  0.00    +0.097 C 
ENDROOT
BRANCH   9  14
ATOM     14  C   LIG    1        1.691  -0.544   0.039  0.00  0.00    +0.293 A 
ATOM     15  O   LIG    1        2.212   0.304   0.987  0.00  0.00    -0.423 OA
ATOM     16  C   LIG    1        3.552   0.255   0.758  0.00  0.00    +0.176 A 
ATOM     17  C   LIG    1        3.768  -0.614  -0.297  0.00  0.00    +0.200 A 
ATOM     18  N   LIG    1        5.000  -0.895  -0.784  0.00  0.00    -0.233 NA
ATOM     19  C   LIG    1        5.999  -0.244  -0.143  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1        5.846   0.643   0.924  0.00  0.00    +0.023 A 
ATOM     21  C   LIG    1        4.570   0.922   1.417  0.00  0.00    +0.052 A 
ATOM     22  N   LIG    1        2.583  -1.118  -0.742  0.00  0.00    -0.175 NA
ENDBRANCH   9  14
TORSDOF 1