REMARK  Name = BDB008606
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.059  -0.082  -1.102  0.00  0.00    +0.163 A 
ATOM      2  C   LIG    1        2.128   0.396  -2.424  0.00  0.00    +0.175 A 
ATOM      3  C   LIG    1        1.295   1.456  -2.811  0.00  0.00    +0.063 A 
ATOM      4 BR   LIG    1        1.294   2.126  -4.591  0.00  0.00    -0.046 Br
ATOM      5  C   LIG    1        0.438   2.067  -1.892  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1        0.389   1.632  -0.560  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1        1.204   0.552  -0.186  0.00  0.00    +0.055 A 
ENDROOT
BRANCH   2   8
ATOM      8  O   LIG    1        2.911  -0.158  -3.409  0.00  0.00    -0.490 OA
ATOM      9  C   LIG    1        4.243  -0.483  -3.022  0.00  0.00    +0.277 C 
ENDBRANCH   2   8
BRANCH   6  10
ATOM     10  C   LIG    1       -0.575   2.307   0.411  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1       -0.034   2.522   1.831  0.00  0.00    +0.033 C 
BRANCH  10  12
ATOM     12  N   LIG    1       -1.917   1.679   0.375  0.00  0.00    -0.289 N 
ATOM     13  C   LIG    1       -2.099   0.400   0.932  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1       -1.224  -0.164   1.594  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1       -3.451  -0.302   0.667  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1       -4.487   0.262   1.486  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1       -5.740  -0.394   1.256  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1       -5.645  -1.901   1.534  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1       -4.591  -2.550   0.733  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1       -4.837  -2.480  -0.254  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1       -3.323  -1.817   0.959  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1       -2.891   2.286  -0.512  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1       -4.200   2.829   0.002  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1       -3.168   3.773  -0.518  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   6  10
BRANCH   1  25
ATOM     25  O   LIG    1        2.829  -1.171  -0.786  0.00  0.00    -0.488 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.633  -1.800   0.478  0.00  0.00    +0.231 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.533  -3.033   0.581  0.00  0.00    +0.069 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.996  -2.685   0.851  0.00  0.00    +0.163 C 
BRANCH  28  30
ATOM     29  C   LIG    1        6.936  -1.701  -0.057  0.00  0.00    +0.193 C 
ATOM     30  O   LIG    1        5.579  -2.054  -0.285  0.00  0.00    -0.383 OA
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 10