REMARK  Name = BDB016380
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.439  -0.334   2.615  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.591  -0.186   1.100  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.312   0.210   0.551  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.488  -0.002   1.108  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -1.064   0.441  -0.803  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -2.009   0.255  -1.841  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -1.715   0.708  -3.143  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -0.497   1.300  -3.453  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        0.455   1.456  -2.458  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -3.259  -0.394  -1.739  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -3.860  -0.361  -2.554  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -3.793  -1.189  -0.776  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -4.900  -1.696  -0.978  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        0.191   1.043  -1.139  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -3.032  -1.490   0.476  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        1.233   1.275  -0.139  0.00  0.00    -0.005 A 
ATOM     17  C   LIG    1        2.159   0.310   0.276  0.00  0.00    +0.027 A 
ATOM     18  C   LIG    1        3.200   0.488   1.262  0.00  0.00    +0.093 A 
ATOM     19  N   LIG    1        3.885  -0.660   1.399  0.00  0.00    -0.171 NA
ATOM     20  N   LIG    1        3.304  -1.513   0.532  0.00  0.00    -0.273 N 
ATOM     21  C   LIG    1        3.815  -2.858   0.424  0.00  0.00    +0.172 C 
ATOM     22  C   LIG    1        3.372   1.719   1.917  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1        2.453   2.715   1.520  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        2.258  -0.984  -0.165  0.00  0.00    +0.117 A 
ATOM     25  C   LIG    1        1.434   2.501   0.540  0.00  0.00    +0.009 A 
ENDBRANCH  14  16
TORSDOF 1