REMARK  Name = BDB061228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.341  -0.691   1.418  0.00  0.00    +0.142 A 
ATOM      2  N   LIG    1       -2.697  -0.115   0.338  0.00  0.00    -0.230 N 
ATOM      3  C   LIG    1       -3.294   1.108   0.179  0.00  0.00    +0.174 A 
ATOM      4  C   LIG    1       -2.839   2.011  -0.849  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.806   1.567  -1.693  0.00  0.00    +0.058 A 
ATOM      6  N   LIG    1       -1.284   0.241  -1.511  0.00  0.00    -0.284 N 
ATOM      7  C   LIG    1       -1.326   2.449  -2.671  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1       -1.880   3.727  -2.814  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -2.915   4.144  -1.982  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.394   3.288  -0.995  0.00  0.00    +0.013 A 
ATOM     11  N   LIG    1       -4.242   1.266   1.076  0.00  0.00    -0.129 NA
ATOM     12  C   LIG    1       -1.664  -0.606  -0.460  0.00  0.00    +0.337 A 
ATOM     13  O   LIG    1       -1.152  -1.693  -0.212  0.00  0.00    -0.246 OA
ATOM     14  N   LIG    1       -4.273   0.136   1.852  0.00  0.00    -0.134 NA
ENDROOT
BRANCH   1  16
ATOM     15  C   LIG    1       -3.747  -3.143   1.238  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -3.045  -2.029   1.998  0.00  0.00    +0.073 C 
ENDBRANCH   1  16
BRANCH   6  17
ATOM     17  C   LIG    1       -0.261  -0.286  -2.416  0.00  0.00    +0.222 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.147   0.046  -1.914  0.00  0.00    +0.237 C 
ATOM     19  N   LIG    1        1.518  -0.727  -0.825  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        0.829  -1.399  -0.489  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        1.810   0.925  -2.456  0.00  0.00    -0.274 OA
BRANCH  19  22
ATOM     22  C   LIG    1        2.726  -0.678  -0.102  0.00  0.00    +0.033 A 
ATOM     23  C   LIG    1        2.854  -1.552   0.984  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1        4.019  -1.567   1.756  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.083  -0.715   1.447  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1        6.322  -0.703   2.292  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        4.949   0.167   0.371  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        3.782   0.182  -0.402  0.00  0.00    +0.023 A 
ENDBRANCH  19  22
ENDBRANCH  17  18
ENDBRANCH   6  17
TORSDOF 4