REMARK  Name = BDB050206
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.521   0.223   1.080  0.00  0.00    -0.271 N 
ATOM      2  C   LIG    1        2.643  -0.263   2.392  0.00  0.00    +0.220 C 
ATOM      3  O   LIG    1        3.705  -0.482   2.980  0.00  0.00    -0.275 OA
ATOM      4  C   LIG    1        1.362  -0.571   3.151  0.00  0.00    +0.101 C 
ATOM      5  C   LIG    1        0.128   0.055   2.519  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1       -1.122  -0.104   3.384  0.00  0.00    +0.075 C 
ATOM      7  S   LIG    1       -2.252  -1.442   2.941  0.00  0.00    -0.139 S 
ATOM      8  C   LIG    1       -2.424  -1.182   1.098  0.00  0.00    +0.127 C 
ATOM      9  C   LIG    1       -3.868  -0.832   0.745  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -4.450  -1.921   0.080  0.00  0.00    +0.039 A 
ATOM     11  C   LIG    1       -5.751  -1.932  -0.385  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -6.519  -0.791  -0.174  0.00  0.00    +0.003 A 
ATOM     13  C   LIG    1       -5.970   0.316   0.490  0.00  0.00    +0.016 A 
ATOM     14  N   LIG    1       -3.551  -2.962  -0.044  0.00  0.00    -0.284 N 
ATOM     15  H   LIG    1       -3.734  -3.856  -0.477  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -4.644   0.301   0.953  0.00  0.00    +0.025 A 
ATOM     17 BR   LIG    1       -4.023   1.853   1.832  0.00  0.00    -0.050 Br
ATOM     18  C   LIG    1       -1.333  -0.257   0.453  0.00  0.00    +0.053 C 
ATOM     19  C   LIG    1       -2.326  -2.644   0.515  0.00  0.00    +0.238 C 
ATOM     20  O   LIG    1       -1.362  -3.397   0.534  0.00  0.00    -0.274 OA
ATOM     21  C   LIG    1        0.066  -0.499   1.091  0.00  0.00    +0.021 C 
ATOM     22  C   LIG    1        1.244   0.141   0.340  0.00  0.00    +0.118 C 
ENDROOT
BRANCH   1  27
ATOM     23  C   LIG    1        6.954   2.681  -1.767  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        5.822   2.023  -1.038  0.00  0.00    -0.050 A 
ATOM     25  C   LIG    1        4.636   1.706  -1.696  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        3.569   1.116  -1.002  0.00  0.00    +0.024 A 
ATOM     27  C   LIG    1        3.644   0.820   0.372  0.00  0.00    +0.036 A 
ATOM     28  C   LIG    1        4.837   1.178   1.018  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1        5.907   1.769   0.329  0.00  0.00    +0.005 A 
ENDBRANCH   1  27
BRANCH  18  30
ATOM     30  C   LIG    1       -1.358  -0.276  -1.079  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -2.014   0.760  -1.768  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -2.074   0.770  -3.163  0.00  0.00    +0.015 A 
ATOM     33  C   LIG    1       -1.478  -0.257  -3.888  0.00  0.00    +0.018 A 
ATOM     34 BR   LIG    1       -1.560  -0.245  -5.776  0.00  0.00    -0.050 Br
ATOM     35  C   LIG    1       -0.823  -1.292  -3.229  0.00  0.00    +0.015 A 
ATOM     36  C   LIG    1       -0.764  -1.301  -1.833  0.00  0.00    +0.005 A 
ENDBRANCH  18  30
TORSDOF 2