REMARK  Name = BDB058280
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.739  -0.052  -1.223  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1        0.990   0.070  -0.536  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.915   1.025  -2.075  0.00  0.00    +0.218 C 
ATOM      4  O   LIG    1        2.735   1.111  -2.985  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1        2.181  -2.258  -0.232  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1        2.428  -1.297  -1.240  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1        3.353  -1.614  -2.246  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1        4.013  -2.846  -2.267  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        3.760  -3.789  -1.280  0.00  0.00    +0.016 A 
ATOM     10  C   LIG    1        2.849  -3.497  -0.264  0.00  0.00    +0.037 A 
ATOM     11 BR   LIG    1        2.569  -4.845   1.052  0.00  0.00    -0.049 Br
BRANCH   5  13
ATOM     12  N   LIG    1        0.559  -1.720   1.719  0.00  0.00    -0.191 NA
ATOM     13  C   LIG    1        1.280  -1.969   0.845  0.00  0.00    +0.102 C 
ENDBRANCH   5  13
ENDBRANCH   1   6
BRANCH   3  14
ATOM     14  C   LIG    1        1.009   2.201  -1.760  0.00  0.00    +0.111 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.472   1.826  -1.789  0.00  0.00    +0.094 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -0.913   1.095  -0.580  0.00  0.00    -0.297 NA
ATOM     17  C   LIG    1       -1.029   2.017   0.579  0.00  0.00    +0.119 C 
ATOM     18  C   LIG    1       -1.724   1.423   1.786  0.00  0.00    -0.030 A 
ATOM     19  C   LIG    1       -2.547   0.292   1.666  0.00  0.00    -0.042 A 
ATOM     20  C   LIG    1       -3.199  -0.219   2.796  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -3.057   0.406   4.035  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -2.260   1.541   4.154  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.671  -0.407   0.340  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1       -1.598   2.049   3.036  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -2.236   0.483  -0.831  0.00  0.00    +0.089 C 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   3  14
TORSDOF 5