REMARK  Name = BDB052848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.788  -0.907   0.549  0.00  0.00    +0.041 A 
ATOM      2  N   LIG    1       -1.132  -1.955  -0.301  0.00  0.00    -0.312 N 
ATOM      3  C   LIG    1        0.025  -2.655  -0.652  0.00  0.00    +0.055 A 
ATOM      4  C   LIG    1        1.095  -2.079   0.037  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1        2.385  -2.638  -0.104  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1        2.578  -3.751  -0.925  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.504  -4.325  -1.589  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.215  -3.800  -1.456  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.580  -0.987   0.792  0.00  0.00    +0.066 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.317  -0.093   1.677  0.00  0.00    +0.249 C 
ATOM     11  N   LIG    1        2.266   0.740   1.094  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        3.031   1.635   1.960  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.339   2.093   1.293  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        4.171   2.753  -0.015  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        4.958   2.499  -0.612  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        2.906   2.384  -0.670  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        2.405   0.964  -0.350  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        1.088  -0.089   2.884  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.442  -2.280  -0.750  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -3.486  -2.407   0.174  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.769  -2.734  -0.270  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -5.009  -2.935  -1.629  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.967  -2.816  -2.549  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.682  -2.493  -2.113  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  C   LIG    1       -1.733   0.174   1.018  0.00  0.00    +0.090 C 
BRANCH  25  28
ATOM     26  C   LIG    1       -1.155   2.708   2.604  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -1.193   2.693   1.102  0.00  0.00    -0.012 A 
ATOM     28  C   LIG    1       -1.464   1.522   0.361  0.00  0.00    -0.036 A 
ATOM     29  C   LIG    1       -1.526   1.611  -1.047  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -1.285   2.813  -1.712  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -0.987   3.955  -0.979  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1       -0.947   3.888   0.409  0.00  0.00    +0.127 A 
ATOM     33  F   LIG    1       -0.668   5.011   1.088  0.00  0.00    -0.205 F 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4