REMARK  Name = BDB028289
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.901  -1.375  -1.288  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1        1.289  -0.618  -0.170  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        2.515   0.060  -0.158  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        3.372  -0.063  -1.248  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        4.688   0.594  -1.207  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        4.990   1.267  -0.051  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        5.893   1.731  -0.005  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        4.163   1.442   1.014  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        5.468   0.521  -2.151  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        3.004  -0.826  -2.362  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        2.974   0.906   0.974  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        1.769  -1.475  -2.382  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  18
ATOM     13  C   LIG    1       -1.607  -1.526  -0.938  0.00  0.00    +0.076 A 
ATOM     14  N   LIG    1       -2.524  -2.528  -1.178  0.00  0.00    -0.266 N 
ATOM     15  C   LIG    1       -3.958  -2.465  -1.006  0.00  0.00    +0.173 C 
ATOM     16  N   LIG    1       -1.976  -3.667  -1.645  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1       -0.680  -3.375  -1.744  0.00  0.00    +0.143 A 
ATOM     18  C   LIG    1       -0.381  -2.061  -1.320  0.00  0.00    +0.027 A 
BRANCH  13  22
ATOM     19  C   LIG    1       -3.247   1.384   2.786  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1       -2.770   1.221   1.373  0.00  0.00    -0.050 A 
ATOM     21  C   LIG    1       -2.451  -0.048   0.873  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -1.966  -0.202  -0.434  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -1.791   0.928  -1.238  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -2.094   2.196  -0.743  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -2.576   2.342   0.558  0.00  0.00    +0.003 A 
ENDBRANCH  13  22
ENDBRANCH   1  18
BRANCH  11  26
ATOM     26  C   LIG    1        2.047   1.132   2.176  0.00  0.00    +0.136 C 
BRANCH  26  27
ATOM     27  N   LIG    1        2.305   2.452   2.763  0.00  0.00    -0.325 NA
ATOM     28  H   LIG    1        3.317   2.608   2.733  0.00  0.00    +0.119 HD
ATOM     29  H   LIG    1        2.043   2.445   3.745  0.00  0.00    +0.119 HD
ENDBRANCH  26  27
ENDBRANCH  11  26
TORSDOF 4