REMARK  Name = BDB001111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.387   4.197   0.230  0.00  0.00    +0.174 C 
ATOM      2  N   LIG    1       -0.204   2.769   0.161  0.00  0.00    -0.250 N 
ATOM      3  C   LIG    1       -1.155   1.795   0.165  0.00  0.00    +0.140 A 
ATOM      4  C   LIG    1       -0.477   0.601   0.084  0.00  0.00    +0.048 A 
ATOM      5  C   LIG    1       -1.268  -0.564   0.037  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -0.762  -1.948  -0.128  0.00  0.00    +0.036 C 
ATOM      7  C   LIG    1       -2.050  -2.708  -0.492  0.00  0.00    +0.009 C 
ATOM      8  C   LIG    1       -3.231  -1.849  -0.014  0.00  0.00    +0.041 C 
ATOM      9  C   LIG    1       -2.606  -0.510   0.091  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -3.322   0.786   0.205  0.00  0.00    +0.254 A 
ATOM     11  O   LIG    1       -4.545   0.841   0.266  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1        0.897   0.935   0.062  0.00  0.00    +0.102 A 
ATOM     13  N   LIG    1       -2.530   1.925   0.230  0.00  0.00    -0.307 N 
ATOM     14  H   LIG    1       -2.998   2.817   0.298  0.00  0.00    +0.170 HD
ATOM     15  N   LIG    1        1.051   2.275   0.087  0.00  0.00    -0.169 NA
ENDROOT
BRANCH  12  16
ATOM     16  C   LIG    1        2.060   0.059   0.012  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1        2.982   0.178  -1.034  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        4.096  -0.662  -1.090  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.298  -1.619  -0.097  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.392  -1.734   0.957  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        2.278  -0.894   1.015  0.00  0.00    +0.010 A 
ENDBRANCH  12  16
TORSDOF 1