REMARK  Name = BDB003888
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.244   1.716   0.506  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1       -1.286   0.255   0.402  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -2.743  -0.090   0.011  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -2.789  -0.376  -1.494  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -3.001   0.494  -2.337  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -2.464  -1.640  -1.899  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -2.186  -1.542  -2.873  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -3.499  -2.528  -1.992  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -3.806  -2.989  -3.091  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.174  -3.000  -0.724  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -4.517  -1.919   0.291  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -3.260  -1.266   0.858  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -3.512   1.211   0.324  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -2.493   2.321   0.078  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1        2.307   2.172   0.428  0.00  0.00    +0.150 A 
ATOM     16  N   LIG    1        1.086   1.577   0.496  0.00  0.00    -0.225 NA
ATOM     17  C   LIG    1       -0.022   2.344   0.414  0.00  0.00    +0.122 A 
ATOM     18  C   LIG    1        0.092   3.728   0.281  0.00  0.00    +0.044 A 
ATOM     19  C   LIG    1        1.349   4.331   0.213  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        2.483   3.540   0.287  0.00  0.00    +0.035 A 
BRANCH  15  21
ATOM     21  C   LIG    1        3.517   1.298   0.510  0.00  0.00    +0.358 C 
ATOM     22  O   LIG    1        4.659   1.731   0.478  0.00  0.00    -0.243 OA
BRANCH  21  23
ATOM     23  O   LIG    1        3.150  -0.003   0.617  0.00  0.00    -0.454 OA
BRANCH  23  25
ATOM     24  C   LIG    1        3.328  -2.352   0.817  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        4.143  -1.054   0.712  0.00  0.00    +0.106 C 
ATOM     26  C   LIG    1        5.007  -1.118  -0.552  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        4.992  -0.904   1.979  0.00  0.00    +0.055 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  17
TORSDOF 4