REMARK  Name = BDB049223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.369  -1.574   1.200  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1        0.479  -0.049   0.896  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1       -0.937   0.376   0.445  0.00  0.00    +0.095 C 
ATOM      4  N   LIG    1       -1.674  -0.876   0.248  0.00  0.00    -0.293 NA
ATOM      5  C   LIG    1       -1.161  -1.777   1.278  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        1.533   0.304  -0.127  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1        2.597   1.254   0.031  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        3.327   1.276  -1.161  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        4.448   2.104  -1.337  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        4.831   2.928  -0.275  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        4.121   2.928   0.920  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1        2.722   0.382  -2.017  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1        3.154   0.106  -3.368  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1        3.006   2.099   1.085  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        1.645  -0.201  -1.410  0.00  0.00    +0.090 A 
ENDBRANCH   2   6
BRANCH   4  16
ATOM     16  C   LIG    1       -3.131  -0.794   0.207  0.00  0.00    +0.089 C 
ATOM     17  C   LIG    1       -3.634  -0.045  -0.996  0.00  0.00    -0.009 A 
ATOM     18  C   LIG    1       -4.269   1.138  -0.639  0.00  0.00    +0.046 A 
ATOM     19  N   LIG    1       -4.811   2.010  -1.506  0.00  0.00    -0.260 NA
ATOM     20  C   LIG    1       -4.706   1.661  -2.809  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -4.086   0.498  -3.265  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -4.220   1.357   0.844  0.00  0.00    +0.057 C 
ATOM     23  C   LIG    1       -3.533  -0.378  -2.335  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -3.867  -0.048   1.350  0.00  0.00    +0.030 C 
ENDBRANCH   4  16
BRANCH   1  26
ATOM     25  C   LIG    1        2.523  -1.769   2.331  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1        1.083  -2.039   2.421  0.00  0.00    -0.304 NA
ATOM     27  C   LIG    1        0.883  -3.477   2.638  0.00  0.00    +0.104 C 
ENDBRANCH   1  26
TORSDOF 3