REMARK  Name = BDB056868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.667   5.720   0.151  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.580   4.713  -0.119  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.957   3.380  -0.231  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.126   2.436  -0.577  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.305   1.035  -0.327  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.424  -0.181  -0.369  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -0.369  -1.223  -0.073  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.577  -0.684   0.185  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.588   0.667   0.016  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.712   1.615   0.192  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -2.348   2.949  -0.496  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        0.591   5.081  -0.223  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.837  -0.368  -0.689  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        2.763  -0.877   0.261  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        4.127  -1.013  -0.099  0.00  0.00    -0.011 A 
ATOM     16  C   LIG    1        5.021  -1.510   0.870  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1        4.558  -1.845   2.132  0.00  0.00    +0.111 A 
ATOM     18  N   LIG    1        3.276  -1.726   2.510  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1        4.543  -0.646  -1.408  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1        5.979  -0.771  -1.851  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        3.607  -0.154  -2.329  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        2.418  -1.256   1.572  0.00  0.00    +0.119 A 
ATOM     23  C   LIG    1        2.269  -0.016  -1.973  0.00  0.00    +0.011 A 
ENDBRANCH   6  13
BRANCH   8  24
ATOM     24  C   LIG    1       -2.680  -1.546   0.590  0.00  0.00    +0.112 C 
ATOM     25  C   LIG    1       -2.327  -2.432   1.790  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1       -3.505  -3.331   2.132  0.00  0.00    +0.162 C 
ATOM     27  O   LIG    1       -3.901  -4.103   1.000  0.00  0.00    -0.380 OA
ATOM     28  C   LIG    1       -4.319  -3.300  -0.101  0.00  0.00    +0.162 C 
ATOM     29  C   LIG    1       -3.190  -2.397  -0.575  0.00  0.00    +0.055 C 
ENDBRANCH   8  24
TORSDOF 2