REMARK  Name = BDB016826
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.606  -0.568  -0.128  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.596   0.012   0.573  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.668  -0.698  -0.137  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -1.220  -1.522  -1.118  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -2.243  -2.134  -1.764  0.00  0.00    -0.227 NA
ATOM      6  C   LIG    1       -3.328  -1.670  -1.160  0.00  0.00    +0.114 A 
ATOM      7  N   LIG    1       -3.017  -0.779  -0.147  0.00  0.00    -0.332 N 
ATOM      8  C   LIG    1       -3.950  -0.077   0.692  0.00  0.00    +0.150 C 
ATOM      9  C   LIG    1        0.219  -1.481  -1.170  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1        0.923  -2.118  -1.938  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  19
ATOM     11  C   LIG    1        3.675   1.625   3.116  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        3.469   0.815   1.861  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.564   0.355   1.066  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        4.283  -0.393  -0.061  0.00  0.00    -0.285 N 
ATOM     15  C   LIG    1        5.512  -0.694  -0.606  0.00  0.00    +0.135 A 
ATOM     16  N   LIG    1        6.462  -0.164   0.139  0.00  0.00    -0.134 NA
ATOM     17  C   LIG    1        5.703  -1.492  -1.838  0.00  0.00    +0.088 C 
ATOM     18  C   LIG    1        2.994  -0.713  -0.473  0.00  0.00    +0.118 A 
ATOM     19  C   LIG    1        1.926  -0.292   0.237  0.00  0.00    +0.055 A 
ATOM     20  N   LIG    1        5.866   0.494   1.190  0.00  0.00    -0.129 NA
ATOM     21  C   LIG    1        2.217   0.492   1.450  0.00  0.00    +0.032 A 
ENDBRANCH   1  19
BRANCH   2  22
ATOM     22  C   LIG    1       -0.728   1.521   0.442  0.00  0.00    -0.021 A 
ATOM     23  C   LIG    1       -0.493   2.183  -0.776  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1       -0.638   3.569  -0.875  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.025   4.306   0.240  0.00  0.00    +0.041 A 
ATOM     26 CL   LIG    1       -1.207   6.012   0.119  0.00  0.00    -0.084 Cl
ATOM     27  C   LIG    1       -1.270   3.670   1.454  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -1.126   2.284   1.555  0.00  0.00    +0.007 A 
ENDBRANCH   2  22
BRANCH   6  29
ATOM     29  C   LIG    1       -4.768  -2.083  -1.586  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -5.511  -3.098  -0.756  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -4.998  -3.475  -2.115  0.00  0.00    +0.012 C 
ENDBRANCH   6  29
TORSDOF 3