REMARK  Name = BDB028295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.813   0.551  -0.677  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.971  -0.242  -0.676  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -2.865  -0.186   0.403  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.600   0.665   1.473  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.543   0.716   2.602  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.639  -0.105   2.509  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.301  -0.083   3.279  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.928  -0.948   1.481  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.350   1.451   3.563  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -1.452   1.464   1.478  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.103  -1.003   0.473  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -0.564   1.407   0.403  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1        1.476   0.284  -1.724  0.00  0.00    +0.076 A 
ATOM     14  N   LIG    1        1.906   0.262  -3.035  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1        3.251   0.031  -3.513  0.00  0.00    +0.173 C 
ATOM     16  N   LIG    1        0.922   0.459  -3.934  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1       -0.171   0.586  -3.183  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1        0.103   0.484  -1.801  0.00  0.00    +0.027 A 
BRANCH  13  23
ATOM     19  C   LIG    1        4.922  -0.516   2.840  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        4.049  -0.322   1.635  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1        4.169   0.830   0.850  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        3.333   1.026  -0.252  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        2.358   0.077  -0.578  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        2.224  -1.066   0.217  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        3.061  -1.262   1.318  0.00  0.00    +0.004 A 
ENDBRANCH  13  23
ENDBRANCH   1  18
BRANCH  11  26
ATOM     26  C   LIG    1       -4.418  -1.950  -0.690  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -5.676  -2.669  -0.458  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1       -6.405  -1.970  -0.292  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1       -5.601  -3.137   0.448  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 4