REMARK  Name = BDB016314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.935  -2.566   0.822  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -2.409  -1.137   0.566  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -1.330  -0.469  -0.078  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -1.310   0.895   0.040  0.00  0.00    +0.151 A 
ATOM      5  C   LIG    1       -2.445   1.724   0.090  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -2.260   3.111   0.235  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -0.988   3.674   0.305  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        0.131   2.855   0.227  0.00  0.00    +0.014 A 
ATOM      9  N   LIG    1       -3.794   1.328  -0.008  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -4.491   2.062   0.052  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.389   0.123  -0.203  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -5.621   0.089  -0.274  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.012   1.466   0.092  0.00  0.00    +0.042 A 
ATOM     14  C   LIG    1       -3.585  -1.127  -0.381  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        1.205   0.646   0.019  0.00  0.00    +0.051 A 
ATOM     16  N   LIG    1        2.231   0.751   0.931  0.00  0.00    -0.354 N 
ATOM     17  H   LIG    1        2.232   1.375   1.724  0.00  0.00    +0.166 HD
ATOM     18  C   LIG    1        3.247  -0.128   0.635  0.00  0.00    +0.047 A 
ATOM     19  C   LIG    1        2.859  -0.830  -0.504  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.726  -1.808  -1.027  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        4.950  -2.048  -0.391  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.312  -1.331   0.747  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        4.466  -0.355   1.284  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1        1.578  -0.340  -0.877  0.00  0.00    +0.036 A 
ENDBRANCH  13  15
TORSDOF 1