REMARK  Name = BDB016265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.619  -1.804   2.026  0.00  0.00    +0.052 C 
ATOM      2  C   LIG    1       -2.232  -0.651   1.236  0.00  0.00    +0.179 C 
ATOM      3  O   LIG    1       -1.354  -0.405   0.143  0.00  0.00    -0.486 OA
ATOM      4  C   LIG    1       -1.418   0.845  -0.414  0.00  0.00    +0.150 A 
ATOM      5  C   LIG    1       -2.575   1.635  -0.525  0.00  0.00    +0.076 A 
ATOM      6  C   LIG    1       -2.468   2.903  -1.124  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.257   3.370  -1.629  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.123   2.572  -1.546  0.00  0.00    +0.012 A 
ATOM      9  N   LIG    1       -3.880   1.298  -0.115  0.00  0.00    -0.282 N 
ATOM     10  H   LIG    1       -4.599   1.998  -0.255  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.413   0.170   0.422  0.00  0.00    +0.221 C 
ATOM     12  O   LIG    1       -5.623   0.156   0.662  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -0.183   1.304  -0.944  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -3.576  -1.046   0.669  0.00  0.00    +0.140 C 
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        1.046   0.499  -0.867  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        1.698   0.260   0.346  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        2.873  -0.505   0.386  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        3.375  -1.015  -0.830  0.00  0.00    +0.071 A 
ATOM     19  C   LIG    1        4.539  -1.770  -0.793  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        5.210  -2.031   0.406  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        4.711  -1.527   1.602  0.00  0.00    +0.001 A 
ATOM     22  N   LIG    1        2.767  -0.793  -2.007  0.00  0.00    -0.254 NA
ATOM     23  C   LIG    1        3.545  -0.765   1.594  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        1.629  -0.056  -2.002  0.00  0.00    +0.120 A 
ENDBRANCH  13  15
TORSDOF 1