REMARK  Name = BDB036809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.173  -0.025  -0.310  0.00  0.00    -0.300 N 
ATOM      2  H   LIG    1       -0.802  -0.941  -0.075  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -0.387   0.852  -1.026  0.00  0.00    +0.246 C 
ATOM      4  O   LIG    1       -0.850   1.807  -1.639  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.069   0.579  -1.057  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1        1.728  -0.215  -0.118  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1        3.114  -0.417  -0.226  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        3.799   0.205  -1.293  0.00  0.00    +0.071 A 
ATOM      9  C   LIG    1        5.169   0.004  -1.401  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        5.869  -0.789  -0.487  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        5.191  -1.397   0.564  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1        3.172   0.981  -2.194  0.00  0.00    -0.254 NA
ATOM     13  C   LIG    1        3.817  -1.212   0.696  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        1.833   1.158  -2.058  0.00  0.00    +0.124 A 
ENDBRANCH   3   5
BRANCH   1  21
ATOM     15  O   LIG    1       -6.304  -0.177   1.508  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -5.245  -0.087   0.894  0.00  0.00    +0.219 C 
ATOM     17  N   LIG    1       -4.534  -1.209   0.549  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -4.906  -2.075   0.916  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.211  -1.240   0.189  0.00  0.00    +0.240 C 
ATOM     20  O   LIG    1       -2.546  -2.273   0.284  0.00  0.00    -0.273 OA
ATOM     21  C   LIG    1       -2.627   0.072  -0.345  0.00  0.00    +0.160 C 
ATOM     22  C   LIG    1       -3.152   1.227   0.502  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -4.672   1.239   0.455  0.00  0.00    +0.098 C 
ENDBRANCH   1  21
TORSDOF 2