REMARK  Name = BDB060648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.577   1.499  -0.748  0.00  0.00    +0.107 C 
ATOM      2  N   LIG    1       -0.737   0.899  -0.513  0.00  0.00    -0.290 N 
ATOM      3  C   LIG    1       -1.268   0.017  -1.438  0.00  0.00    +0.247 C 
ATOM      4  O   LIG    1       -0.704  -0.310  -2.478  0.00  0.00    -0.270 OA
ATOM      5  C   LIG    1       -1.498   1.659   0.471  0.00  0.00    +0.109 C 
ATOM      6  C   LIG    1       -0.482   2.581   1.126  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        0.520   2.836   0.006  0.00  0.00    +0.029 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        3.939  -0.926   0.560  0.00  0.00    +0.120 A 
ATOM      9  C   LIG    1        2.725  -0.990   1.245  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        1.630  -0.225   0.833  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        1.728   0.625  -0.277  0.00  0.00    -0.027 A 
ATOM     12  C   LIG    1        2.955   0.686  -0.956  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        4.051  -0.083  -0.543  0.00  0.00    +0.046 A 
BRANCH   8  15
ATOM     14  C   LIG    1        6.163  -1.737   0.368  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        4.926  -1.725   1.068  0.00  0.00    -0.495 OA
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   3  16
ATOM     16  C   LIG    1       -2.608  -0.551  -1.174  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -3.606  -0.406  -2.143  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1       -4.870  -0.960  -1.925  0.00  0.00    +0.019 A 
ATOM     19  C   LIG    1       -5.132  -1.672  -0.748  0.00  0.00    +0.052 A 
ATOM     20  C   LIG    1       -4.121  -1.836   0.208  0.00  0.00    +0.019 A 
ATOM     21  C   LIG    1       -2.856  -1.282  -0.007  0.00  0.00    +0.014 A 
BRANCH  19  22
ATOM     22  C   LIG    1       -6.429  -2.241  -0.526  0.00  0.00    +0.099 C 
ATOM     23  N   LIG    1       -7.481  -2.696  -0.340  0.00  0.00    -0.191 NA
ENDBRANCH  19  22
ENDBRANCH   3  16
TORSDOF 4