REMARK  Name = BDB055118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.270   0.736  -2.570  0.00  0.00    +0.073 A 
ATOM      2  C   LIG    1       -1.575   0.686  -2.064  0.00  0.00    +0.108 A 
ATOM      3  C   LIG    1       -2.692   1.047  -2.812  0.00  0.00    +0.180 A 
ATOM      4  N   LIG    1       -3.850   0.904  -2.099  0.00  0.00    -0.207 NA
ATOM      5  C   LIG    1       -3.467   0.451  -0.926  0.00  0.00    +0.163 A 
ATOM      6  N   LIG    1       -2.627   1.475  -4.090  0.00  0.00    -0.233 NA
ATOM      7  C   LIG    1       -1.373   1.516  -4.593  0.00  0.00    +0.130 A 
ATOM      8  N   LIG    1       -2.109   0.299  -0.864  0.00  0.00    -0.334 N 
ATOM      9  H   LIG    1       -1.609  -0.045  -0.057  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1       -0.209   1.167  -3.910  0.00  0.00    +0.059 A 
ATOM     11 BR   LIG    1        1.448   1.308  -4.830  0.00  0.00    -0.047 Br
ENDROOT
BRANCH   5  12
ATOM     12  C   LIG    1       -4.391   0.110   0.264  0.00  0.00    +0.147 A 
ATOM     13  C   LIG    1       -5.760   0.231   0.290  0.00  0.00    +0.133 A 
ATOM     14  C   LIG    1       -6.783   0.674  -0.672  0.00  0.00    +0.088 C 
ATOM     15  O   LIG    1       -6.181  -0.174   1.528  0.00  0.00    -0.444 OA
ATOM     16  C   LIG    1       -5.026  -0.517   2.178  0.00  0.00    +0.193 A 
ATOM     17  C   LIG    1       -5.176  -1.000   3.564  0.00  0.00    +0.109 C 
ATOM     18  N   LIG    1       -3.926  -0.367   1.466  0.00  0.00    -0.210 NA
ENDBRANCH   5  12
BRANCH   1  22
ATOM     19  N   LIG    1        2.303  -0.861   0.460  0.00  0.00    -0.294 NA
ATOM     20  C   LIG    1        1.331  -1.597  -0.378  0.00  0.00    +0.103 C 
ATOM     21  C   LIG    1        1.160  -1.078  -1.824  0.00  0.00    +0.120 C 
ATOM     22  N   LIG    1        0.868   0.368  -1.856  0.00  0.00    -0.325 N 
ATOM     23  C   LIG    1        1.166   1.122  -0.627  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        2.442   0.550   0.029  0.00  0.00    +0.103 C 
BRANCH  19  25
ATOM     25  C   LIG    1        3.604  -1.556   0.512  0.00  0.00    +0.143 C 
BRANCH  25  30
ATOM     26  C   LIG    1        7.154   0.947   3.220  0.00  0.00    +0.089 C 
ATOM     27  C   LIG    1        6.068   0.131   2.651  0.00  0.00    +0.135 A 
ATOM     28  O   LIG    1        5.376  -0.645   3.525  0.00  0.00    -0.360 OA
ATOM     29  N   LIG    1        4.399  -1.349   2.845  0.00  0.00    -0.082 NA
ATOM     30  C   LIG    1        4.506  -0.977   1.561  0.00  0.00    +0.098 A 
ATOM     31  C   LIG    1        5.561  -0.047   1.388  0.00  0.00    +0.072 A 
ENDBRANCH  25  30
ENDBRANCH  19  25
ENDBRANCH   1  22
TORSDOF 4