REMARK  Name = BDB036867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.595   0.486  -0.624  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.438   0.214   0.274  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.216  -0.194   1.659  0.00  0.00    +0.133 C 
ATOM      4  O   LIG    1       -0.414   0.636  -1.830  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.817   0.266  -0.240  0.00  0.00    +0.163 C 
ATOM      6  C   LIG    1        2.850   0.872   0.727  0.00  0.00    +0.240 C 
ATOM      7  O   LIG    1        2.570   1.636   1.649  0.00  0.00    -0.273 OA
ATOM      8  N   LIG    1        4.166   0.552   0.477  0.00  0.00    -0.255 N 
ATOM      9  H   LIG    1        4.843   0.954   1.111  0.00  0.00    +0.158 HD
ATOM     10  C   LIG    1        4.651  -0.396  -0.388  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        5.844  -0.680  -0.408  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        3.653  -1.026  -1.329  0.00  0.00    +0.098 C 
ATOM     13  C   LIG    1        2.278  -1.122  -0.691  0.00  0.00    +0.041 C 
ENDBRANCH   2   5
BRANCH   1  16
ATOM     14  C   LIG    1       -2.710  -1.410  -1.450  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -2.982  -0.286  -0.492  0.00  0.00    -0.038 A 
ATOM     16  C   LIG    1       -1.974   0.614  -0.100  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -2.259   1.680   0.765  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1       -3.550   1.845   1.263  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.556   0.957   0.887  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.277  -0.097   0.012  0.00  0.00    +0.004 A 
ENDBRANCH   1  16
TORSDOF 2