REMARK  Name = BDB016263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.132   2.696   0.002  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -2.693   1.278   0.082  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -1.603   0.438   0.445  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -1.726  -0.885   0.110  0.00  0.00    +0.150 A 
ATOM      5  C   LIG    1       -2.926  -1.617   0.091  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -2.882  -2.973  -0.278  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.681  -3.603  -0.595  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.494  -2.884  -0.545  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1       -4.213  -1.151   0.428  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -4.974  -1.815   0.344  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.668   0.040   0.894  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -5.875   0.151   1.128  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.493  -1.523  -0.193  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -3.735   1.177   1.171  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        0.794  -0.803  -0.169  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1        1.756  -1.097   0.816  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        2.993  -0.420   0.830  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        4.139  -0.485   1.667  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        5.057   0.424   1.194  0.00  0.00    +0.086 A 
ATOM     20  N   LIG    1        4.510   1.041   0.100  0.00  0.00    -0.350 N 
ATOM     21  C   LIG    1        5.164   2.068  -0.679  0.00  0.00    +0.149 C 
ATOM     22  C   LIG    1        3.247   0.544  -0.148  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        2.309   0.859  -1.142  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        1.090   0.171  -1.133  0.00  0.00    +0.010 A 
ENDBRANCH  13  15
TORSDOF 1