REMARK  Name = BDB023658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.243   0.731  -0.412  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1        1.998   0.020   0.086  0.00  0.00    +0.071 C 
ATOM      3  N   LIG    1        1.805  -1.258  -0.539  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        2.506  -1.986  -0.628  0.00  0.00    +0.149 HD
ATOM      5  C   LIG    1        0.470  -1.564  -0.720  0.00  0.00    +0.221 C 
ATOM      6  O   LIG    1        0.049  -2.635  -1.117  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1       -0.344  -0.370  -0.278  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -0.966  -0.641   1.090  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1       -2.123   0.296   1.161  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -2.455   0.749  -0.217  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1       -1.563  -0.076  -1.136  0.00  0.00    +0.037 C 
ATOM     12  C   LIG    1        0.704   0.757  -0.254  0.00  0.00    +0.039 C 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1       -2.947   0.401   2.210  0.00  0.00    +0.169 C 
ATOM     14  N   LIG    1       -3.656   0.493   3.119  0.00  0.00    -0.174 NA
ENDBRANCH   9  13
TORSDOF 1