REMARK  Name = BDB051251
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.341   2.169   1.789  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1       -2.453   1.548   1.216  0.00  0.00    +0.259 A 
ATOM      3  C   LIG    1       -2.762   0.354   0.372  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -1.737  -0.348  -0.279  0.00  0.00    +0.080 A 
ATOM      5  C   LIG    1       -2.014  -1.465  -1.070  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -3.338  -1.883  -1.210  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.369  -1.191  -0.567  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -0.429   0.122  -0.098  0.00  0.00    -0.215 N 
ATOM      9  C   LIG    1       -0.139   1.220   0.678  0.00  0.00    +0.138 A 
ATOM     10  C   LIG    1        1.220   1.387   0.628  0.00  0.00    +0.079 A 
ATOM     11  C   LIG    1        1.671   0.338  -0.206  0.00  0.00    +0.130 A 
ATOM     12  N   LIG    1        0.668  -0.434  -0.650  0.00  0.00    -0.161 NA
ATOM     13  C   LIG    1       -4.085  -0.074   0.224  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1       -1.127   1.925   1.326  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1       -0.913   2.734   1.897  0.00  0.00    +0.170 HD
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1        3.162   0.083  -0.585  0.00  0.00    +0.155 A 
ATOM     17  O   LIG    1        4.212   0.847  -0.154  0.00  0.00    -0.461 OA
ATOM     18  C   LIG    1        5.341   0.316  -0.691  0.00  0.00    +0.196 A 
ATOM     19  C   LIG    1        5.038  -0.780  -1.464  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        3.632  -0.931  -1.396  0.00  0.00    +0.051 A 
ENDBRANCH  11  16
TORSDOF 1