REMARK  Name = BDB013253
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.533   0.592  -0.044  0.00  0.00    -0.293 NA
ATOM      2  C   LIG    1        0.697  -0.601  -0.285  0.00  0.00    +0.159 C 
ATOM      3  C   LIG    1       -0.805  -0.322  -0.104  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -1.554  -1.375   0.093  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -2.940  -1.175   0.231  0.00  0.00    +0.077 A 
ATOM      6  C   LIG    1       -3.534   0.086   0.162  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1       -4.900   0.257   0.309  0.00  0.00    +0.053 A 
ATOM      8  C   LIG    1       -5.439   1.620   0.234  0.00  0.00    +0.273 A 
ATOM      9  N   LIG    1       -4.518   2.621   0.026  0.00  0.00    -0.241 N 
ATOM     10  H   LIG    1       -4.870   3.572  -0.027  0.00  0.00    +0.192 HD
ATOM     11  N   LIG    1       -3.170   2.463  -0.124  0.00  0.00    -0.152 NA
ATOM     12  O   LIG    1       -6.639   1.839   0.352  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1       -5.721  -0.851   0.527  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1       -5.150  -2.123   0.596  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.672   1.257  -0.067  0.00  0.00    +0.165 A 
ATOM     16  C   LIG    1       -3.766  -2.281   0.450  0.00  0.00    +0.028 A 
ATOM     17  N   LIG    1       -1.316   0.975  -0.212  0.00  0.00    -0.310 N 
ATOM     18  C   LIG    1       -0.393   2.114  -0.283  0.00  0.00    +0.140 C 
ATOM     19  C   LIG    1        0.987   1.719  -0.817  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1  20
ATOM     20  C   LIG    1        2.942   0.350  -0.421  0.00  0.00    +0.089 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.655  -0.675   0.484  0.00  0.00    +0.045 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.865  -0.312  -0.726  0.00  0.00    +0.007 C 
ATOM     23  C   LIG    1        5.140  -0.894   0.244  0.00  0.00    -0.078 C 
ATOM     24  C   LIG    1        5.787  -1.856   1.207  0.00  0.00    +0.038 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 3