REMARK  Name = BDB001968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.071  -0.108  -0.007  0.00  0.00    +0.229 A 
ATOM      2  O   LIG    1        0.554   0.997  -0.672  0.00  0.00    -0.435 OA
ATOM      3  C   LIG    1        1.907   0.846  -0.639  0.00  0.00    +0.156 A 
ATOM      4  C   LIG    1        2.186  -0.329   0.032  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1        3.523  -0.711   0.204  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1        4.533   0.091  -0.353  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        4.196   1.303  -0.979  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        2.864   1.704  -1.160  0.00  0.00    +0.050 A 
ATOM      9  N   LIG    1        1.016  -0.924   0.430  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.433   1.882  -0.917  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -3.606   0.765  -0.355  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1       -2.206   0.809  -0.432  0.00  0.00    +0.016 A 
ATOM     13  C   LIG    1       -1.392  -0.208   0.113  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -2.026  -1.294   0.761  0.00  0.00    -0.038 A 
ATOM     15  C   LIG    1       -1.255  -2.433   1.376  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1       -3.430  -1.324   0.848  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -4.210  -0.305   0.301  0.00  0.00    +0.003 A 
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1        5.879  -0.205  -0.095  0.00  0.00    -0.358 N 
ATOM     19  H   LIG    1        6.529   0.198  -0.762  0.00  0.00    +0.142 HD
ATOM     20  H   LIG    1        6.060  -1.191   0.073  0.00  0.00    +0.142 HD
ENDBRANCH   6  18
TORSDOF 2