REMARK  Name = BDB057234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.689   0.295  -0.606  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        1.365   0.011  -0.260  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        0.350   0.973  -0.421  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1        0.685   2.229  -0.944  0.00  0.00    +0.010 A 
ATOM      5  C   LIG    1        2.003   2.520  -1.296  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.997   1.557  -1.128  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.020   0.642  -0.052  0.00  0.00    +0.089 A 
ATOM      8  N   LIG    1       -1.451  -0.664   0.158  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -2.711  -0.542   0.477  0.00  0.00    +0.110 A 
ATOM     10  C   LIG    1       -3.820  -1.438   0.852  0.00  0.00    +0.076 C 
ATOM     11  C   LIG    1       -4.839  -0.433   1.448  0.00  0.00    +0.029 C 
ATOM     12  C   LIG    1       -4.486   0.940   0.846  0.00  0.00    +0.123 C 
ATOM     13  N   LIG    1       -3.101   0.758   0.475  0.00  0.00    -0.334 N 
ATOM     14  C   LIG    1       -2.059   1.544   0.153  0.00  0.00    +0.115 A 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     15  C   LIG    1        5.075  -2.563   0.013  0.00  0.00    +0.109 C 
ATOM     16  C   LIG    1        3.725  -1.890   0.063  0.00  0.00    +0.214 C 
ATOM     17  N   LIG    1        3.760  -0.616  -0.472  0.00  0.00    -0.286 N 
ATOM     18  H   LIG    1        4.662  -0.282  -0.786  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1        2.765  -2.461   0.565  0.00  0.00    -0.276 OA
ENDBRANCH   1  17
TORSDOF 2