REMARK  Name = BDB027809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.230  -0.981  -0.127  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        0.301  -2.203   0.381  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        1.681  -2.263   0.658  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1        2.173  -3.471   1.127  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        1.450  -4.599   1.355  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.134  -4.510   1.111  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.510  -1.217   0.499  0.00  0.00    -0.245 NA
ATOM      8  C   LIG    1        1.994  -0.040   0.087  0.00  0.00    +0.074 A 
ATOM      9  C   LIG    1       -0.475  -3.360   0.635  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        0.645   0.100  -0.231  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.956   1.075  -0.011  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        4.279   0.846  -0.416  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.158   1.913  -0.504  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        4.822   3.187  -0.217  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        3.555   3.397   0.189  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        2.603   2.394   0.306  0.00  0.00    +0.030 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.597  -0.896  -0.407  0.00  0.00    -0.338 N 
ATOM     18  H   LIG    1       -1.907  -1.764  -0.844  0.00  0.00    +0.147 HD
BRANCH  17  20
ATOM     19  C   LIG    1       -1.979   0.638  -2.315  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1       -2.396   0.246  -0.887  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1       -3.858  -0.263  -0.971  0.00  0.00    +0.031 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.358   1.470   0.056  0.00  0.00    +0.053 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.599   1.165   1.531  0.00  0.00    +0.158 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.561   2.385   2.271  0.00  0.00    -0.395 OA
ATOM     25  H   LIG    1       -3.348   2.901   2.025  0.00  0.00    +0.209 HD
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH   1  17
TORSDOF 6