REMARK  Name = BDB052991
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.113  -0.765   0.254  0.00  0.00    -0.195 N 
ATOM      2  C   LIG    1       -1.590  -2.080   0.219  0.00  0.00    +0.280 A 
ATOM      3  O   LIG    1       -2.759  -2.448   0.329  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -0.580  -3.139   0.039  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        0.768  -2.814  -0.038  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        1.709  -3.828  -0.283  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        1.299  -5.159  -0.406  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -0.048  -5.486  -0.297  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.145  -1.383   0.111  0.00  0.00    +0.153 A 
ATOM     10  C   LIG    1       -0.988  -4.479  -0.082  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1        0.230  -0.463   0.224  0.00  0.00    -0.147 NA
ENDROOT
BRANCH   1  16
ATOM     12  C   LIG    1       -4.413   3.970   0.735  0.00  0.00    +0.044 C 
ATOM     13  C   LIG    1       -3.567   2.737   0.637  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -2.182   2.810   0.776  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -1.395   1.658   0.652  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -1.959   0.397   0.378  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1       -3.351   0.348   0.223  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1       -4.144   1.499   0.345  0.00  0.00    +0.005 A 
ENDBRANCH   1  16
BRANCH   9  19
ATOM     19  N   LIG    1        2.498  -1.051   0.150  0.00  0.00    -0.283 N 
ATOM     20  H   LIG    1        3.110  -1.799   0.453  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.058   0.174  -0.044  0.00  0.00    +0.120 A 
ATOM     22  N   LIG    1        4.377   0.411   0.238  0.00  0.00    -0.264 N 
ATOM     23  H   LIG    1        5.060  -0.231   0.619  0.00  0.00    +0.190 HD
ATOM     24  N   LIG    1        4.778   1.665  -0.029  0.00  0.00    -0.178 NA
ATOM     25  C   LIG    1        3.674   2.260  -0.495  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1        3.706   3.683  -0.908  0.00  0.00    +0.067 C 
ATOM     27  C   LIG    1        2.577   1.368  -0.528  0.00  0.00    +0.068 A 
ENDBRANCH  19  21
ENDBRANCH   9  19
TORSDOF 3