REMARK  Name = BDB036926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.124  -0.303   0.259  0.00  0.00    +0.113 A 
ATOM      2  N   LIG    1        0.928  -1.323   1.152  0.00  0.00    -0.129 NA
ATOM      3  N   LIG    1       -0.373  -1.569   1.227  0.00  0.00    -0.064 NA
ATOM      4  N   LIG    1       -0.992  -0.730   0.374  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -0.099   0.106  -0.230  0.00  0.00    +0.139 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.445  -0.720   0.327  0.00  0.00    +0.195 C 
ATOM      7  C   LIG    1       -2.987  -0.511  -1.077  0.00  0.00    +0.244 C 
ATOM      8  O   LIG    1       -2.400  -0.846  -2.103  0.00  0.00    -0.273 OA
ATOM      9  N   LIG    1       -4.245   0.044  -1.165  0.00  0.00    -0.255 N 
ATOM     10  H   LIG    1       -4.613   0.162  -2.101  0.00  0.00    +0.158 HD
ATOM     11  C   LIG    1       -5.055   0.483  -0.146  0.00  0.00    +0.219 C 
ATOM     12  O   LIG    1       -6.163   0.956  -0.376  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -4.529   0.292   1.255  0.00  0.00    +0.099 C 
ATOM     14  C   LIG    1       -3.010   0.335   1.280  0.00  0.00    +0.045 C 
ENDBRANCH   4   6
BRANCH   1  17
ATOM     15  C   LIG    1        3.530  -2.053  -0.056  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        3.567  -0.558  -0.239  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        2.420   0.253  -0.092  0.00  0.00    +0.007 A 
ATOM     18  C   LIG    1        2.539   1.642  -0.284  0.00  0.00    +0.010 A 
ATOM     19  C   LIG    1        3.767   2.223  -0.608  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        4.896   1.424  -0.742  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        4.798   0.045  -0.556  0.00  0.00    +0.004 A 
ENDBRANCH   1  17
TORSDOF 2