REMARK  Name = BDB056901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.574   0.325   0.083  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.781  -0.389   0.342  0.00  0.00    +0.065 A 
ATOM      3  C   LIG    1        3.961   0.341   0.521  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        5.291  -0.265   0.680  0.00  0.00    +0.196 A 
ATOM      5  C   LIG    1        5.513  -1.354   1.631  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        4.712  -2.483   1.702  0.00  0.00    +0.050 A 
ATOM      7  C   LIG    1        3.574  -2.766   0.809  0.00  0.00    +0.257 A 
ATOM      8  O   LIG    1        3.295  -3.942   0.573  0.00  0.00    -0.267 OA
ATOM      9  C   LIG    1        5.033  -3.482   2.643  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        6.128  -3.346   3.498  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.932  -2.216   3.414  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.630  -1.227   2.479  0.00  0.00    +0.012 A 
ATOM     13  O   LIG    1        6.255   0.235   0.107  0.00  0.00    -0.287 OA
ATOM     14  C   LIG    1        3.952   1.748   0.471  0.00  0.00    +0.014 A 
ATOM     15  C   LIG    1        2.772   2.444   0.252  0.00  0.00    +0.002 A 
ATOM     16  N   LIG    1        2.743  -1.796   0.324  0.00  0.00    -0.321 N 
ATOM     17  H   LIG    1        1.894  -2.228  -0.048  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1        1.593   1.736   0.057  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  21
ATOM     19  C   LIG    1       -1.818  -0.543  -0.512  0.00  0.00    +0.242 A 
ATOM     20  O   LIG    1       -0.822   0.398  -0.307  0.00  0.00    -0.416 OA
ATOM     21  C   LIG    1        0.303  -0.366  -0.153  0.00  0.00    +0.251 A 
ATOM     22  N   LIG    1        0.047  -1.652  -0.251  0.00  0.00    -0.107 NA
ATOM     23  N   LIG    1       -1.305  -1.764  -0.479  0.00  0.00    -0.108 NA
BRANCH  19  25
ATOM     24  C   LIG    1       -3.616   1.051  -0.748  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -3.185  -0.220  -0.726  0.00  0.00    +0.070 C 
BRANCH  24  27
ATOM     26  C   LIG    1       -5.831   0.906  -1.993  0.00  0.00    +0.141 A 
ATOM     27  C   LIG    1       -5.028   1.417  -0.954  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -5.584   2.351  -0.068  0.00  0.00    +0.027 A 
ATOM     29  C   LIG    1       -6.922   2.730  -0.188  0.00  0.00    +0.020 A 
ATOM     30 BR   LIG    1       -7.651   3.981   1.028  0.00  0.00    -0.050 Br
ATOM     31  C   LIG    1       -7.729   2.188  -1.185  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1       -7.184   1.270  -2.083  0.00  0.00    +0.061 A 
ATOM     33 BR   LIG    1       -8.331   0.535  -3.406  0.00  0.00    -0.046 Br
BRANCH  26  35
ATOM     34  C   LIG    1       -4.703   0.671  -3.990  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -5.312  -0.002  -2.885  0.00  0.00    -0.493 OA
ENDBRANCH  26  35
ENDBRANCH  24  27
ENDBRANCH  19  25
ENDBRANCH   1  21
TORSDOF 4