REMARK  Name = BDB018789
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -4.111   0.718   1.205  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1       -3.743   1.515  -0.011  0.00  0.00    +0.151 C 
ATOM      3  C   LIG    1       -2.566   0.752  -0.642  0.00  0.00    +0.128 C 
ATOM      4  C   LIG    1       -2.497   0.993  -2.168  0.00  0.00    +0.242 C 
ATOM      5  O   LIG    1       -3.470   1.284  -2.861  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -1.277   0.746  -2.763  0.00  0.00    -0.281 N 
ATOM      7  H   LIG    1       -1.237   0.797  -3.771  0.00  0.00    +0.155 HD
ATOM      8  C   LIG    1       -0.115   0.530  -2.007  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -0.144   0.664  -0.613  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1        0.930   0.436   0.161  0.00  0.00    -0.230 NA
ATOM     11  C   LIG    1        2.099   0.091  -0.442  0.00  0.00    +0.073 A 
ATOM     12  C   LIG    1        2.197  -0.044  -1.831  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        1.075   0.182  -2.626  0.00  0.00    +0.029 A 
ATOM     14  N   LIG    1       -1.300   1.104   0.025  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -1.232   0.989   1.031  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -2.951  -0.700  -0.342  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -3.545  -0.647   1.060  0.00  0.00    +0.119 C 
ENDROOT
BRANCH  11  18
ATOM     18  C   LIG    1        3.244  -0.139   0.467  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.571   0.136   0.087  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        5.641  -0.094   0.960  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.407  -0.601   2.234  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.104  -0.872   2.640  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        3.037  -0.641   1.766  0.00  0.00    +0.010 A 
ENDBRANCH  11  18
BRANCH   1  25
ATOM     24  N   LIG    1       -5.932   1.332   2.795  0.00  0.00    -0.174 NA
ATOM     25  C   LIG    1       -5.085   1.052   2.059  0.00  0.00    +0.169 C 
ENDBRANCH   1  25
TORSDOF 2