REMARK  Name = BDB002277
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.533  -1.834  -0.638  0.00  0.00    +0.020 C 
ATOM      2  C   LIG    1        2.841  -0.791  -0.163  0.00  0.00    +0.039 C 
ATOM      3  C   LIG    1        1.407  -0.423  -0.409  0.00  0.00    +0.096 C 
ATOM      4  C   LIG    1        1.524   1.086  -0.209  0.00  0.00    +0.187 C 
ATOM      5  C   LIG    1        0.331   1.933   0.233  0.00  0.00    +0.049 C 
ATOM      6  C   LIG    1       -1.036   1.666  -0.416  0.00  0.00    -0.003 C 
ATOM      7  C   LIG    1       -1.405   0.175  -0.524  0.00  0.00    +0.031 C 
ATOM      8  C   LIG    1       -0.976  -0.725   0.662  0.00  0.00    +0.063 C 
ATOM      9  C   LIG    1       -1.169  -0.133   2.078  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -2.069  -1.780   0.568  0.00  0.00    +0.165 C 
ATOM     11  O   LIG    1       -2.012  -2.905   1.044  0.00  0.00    -0.292 OA
ATOM     12  C   LIG    1       -3.264  -1.256  -0.113  0.00  0.00    +0.043 C 
ATOM     13  C   LIG    1       -2.879  -0.109  -0.678  0.00  0.00    -0.019 C 
ATOM     14  C   LIG    1       -1.097   2.333  -1.799  0.00  0.00    +0.008 C 
ATOM     15  O   LIG    1        2.569   1.276   0.763  0.00  0.00    -0.457 OA
ATOM     16  C   LIG    1        0.462  -1.271   0.488  0.00  0.00    +0.140 C 
ATOM     17  C   LIG    1        3.449   0.241   0.701  0.00  0.00    +0.335 C 
ATOM     18  O   LIG    1        4.520   0.181   1.272  0.00  0.00    -0.245 OA
ENDROOT
BRANCH  16  19
ATOM     19  O   LIG    1        0.418  -2.562  -0.152  0.00  0.00    -0.390 OA
ATOM     20  H   LIG    1       -0.100  -3.165   0.424  0.00  0.00    +0.210 HD
ENDBRANCH  16  19
TORSDOF 1