REMARK  Name = BDB029421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.092   1.919  -0.150  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.056   1.093   0.289  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1        1.201   1.732   0.671  0.00  0.00    +0.108 C 
ATOM      4  C   LIG    1        2.019   0.864   1.620  0.00  0.00    +0.027 C 
ATOM      5  C   LIG    1        2.293  -0.545   1.054  0.00  0.00    +0.022 C 
ATOM      6  C   LIG    1        1.351  -0.909  -0.106  0.00  0.00    +0.027 C 
ATOM      7  C   LIG    1       -0.052  -0.364   0.137  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1       -0.972   3.132  -0.306  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  16
ATOM      9  O   LIG    1       -7.451  -1.637   0.248  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -6.431  -1.003   0.037  0.00  0.00    +0.222 C 
ATOM     11  N   LIG    1       -6.127  -0.320  -1.135  0.00  0.00    -0.285 N 
ATOM     12  H   LIG    1       -6.752  -0.288  -1.926  0.00  0.00    +0.155 HD
ATOM     13  C   LIG    1       -4.889   0.296  -1.052  0.00  0.00    +0.037 A 
ATOM     14  C   LIG    1       -4.318   0.036   0.194  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -3.077   0.548   0.524  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1       -2.414   1.318  -0.444  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1       -3.012   1.592  -1.693  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1       -4.268   1.068  -2.011  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1       -5.255  -0.812   1.002  0.00  0.00    +0.133 C 
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  C   LIG    1        3.746  -0.755   0.661  0.00  0.00    -0.044 A 
ATOM     21  C   LIG    1        4.479  -1.804   1.237  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        5.814  -2.018   0.887  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        6.434  -1.188  -0.043  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.719  -0.144  -0.626  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        4.384   0.071  -0.277  0.00  0.00    +0.004 A 
ENDBRANCH   5  20
TORSDOF 2