REMARK  Name = BDB028297
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.329  -1.847  -0.042  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.489  -0.499   0.316  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.549   0.254  -0.205  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        3.466  -0.351  -1.059  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.586   0.444  -1.588  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.639   1.756  -1.184  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.403   2.321  -1.541  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        3.749   2.381  -0.366  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        5.418  -0.048  -2.341  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        3.329  -1.698  -1.408  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        2.749   1.691   0.106  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        2.262  -2.442  -0.901  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1       -1.112  -2.221   0.531  0.00  0.00    +0.076 A 
ATOM     14  N   LIG    1       -1.794  -3.300   1.053  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -3.219  -3.416   1.269  0.00  0.00    +0.173 C 
ATOM     16  N   LIG    1       -1.004  -4.346   1.362  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        0.212  -3.942   0.994  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1        0.216  -2.630   0.471  0.00  0.00    +0.027 A 
BRANCH  13  22
ATOM     19  C   LIG    1       -2.918   1.456  -0.679  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1       -2.884   1.103   0.670  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -2.306  -0.110   1.064  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -1.756  -0.978   0.114  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -1.794  -0.623  -1.236  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -2.375   0.586  -1.627  0.00  0.00    +0.046 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -3.942   3.563  -0.267  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -3.445   2.607  -1.196  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  13  22
ENDBRANCH   1  18
BRANCH  11  27
ATOM     27  C   LIG    1        1.732   2.387   1.018  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1        2.058   3.809   1.183  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1        2.099   4.224   0.248  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1        3.029   3.865   1.499  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 5