REMARK  Name = BDB002275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.645   2.577  -0.697  0.00  0.00    +0.020 C 
ATOM      2  C   LIG    1        1.650   2.261   0.142  0.00  0.00    +0.040 C 
ATOM      3  C   LIG    1        0.482   1.352  -0.090  0.00  0.00    +0.108 C 
ATOM      4  C   LIG    1       -0.504   1.927   0.939  0.00  0.00    +0.188 C 
ATOM      5  C   LIG    1       -1.431   0.967   1.696  0.00  0.00    +0.049 C 
ATOM      6  C   LIG    1       -2.403   0.125   0.849  0.00  0.00    -0.003 C 
ATOM      7  C   LIG    1       -1.727  -0.432  -0.412  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1       -0.361  -1.142  -0.173  0.00  0.00    +0.074 C 
ATOM      9  C   LIG    1       -0.403  -2.195   0.967  0.00  0.00    +0.024 C 
ATOM     10  C   LIG    1       -0.340  -1.991  -1.444  0.00  0.00    +0.166 C 
ATOM     11  O   LIG    1        0.627  -2.499  -1.990  0.00  0.00    -0.292 OA
ATOM     12  C   LIG    1       -1.715  -2.260  -1.915  0.00  0.00    +0.043 C 
ATOM     13  C   LIG    1       -2.505  -1.417  -1.244  0.00  0.00    -0.019 C 
ATOM     14  C   LIG    1       -3.637   0.967   0.489  0.00  0.00    +0.008 C 
ATOM     15  O   LIG    1        0.294   2.580   1.948  0.00  0.00    -0.457 OA
ATOM     16  C   LIG    1        0.827  -0.154   0.076  0.00  0.00    +0.201 C 
ATOM     17  C   LIG    1        1.530   2.880   1.476  0.00  0.00    +0.335 C 
ATOM     18  O   LIG    1        2.374   3.537   2.052  0.00  0.00    -0.245 OA
ENDROOT
BRANCH  16  19
ATOM     19  O   LIG    1        1.912  -0.440  -0.836  0.00  0.00    -0.460 OA
BRANCH  19  20
ATOM     20  C   LIG    1        2.876  -1.294  -0.393  0.00  0.00    +0.304 C 
ATOM     21  O   LIG    1        2.918  -1.796   0.722  0.00  0.00    -0.251 OA
ATOM     22  C   LIG    1        3.903  -1.510  -1.462  0.00  0.00    +0.136 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
TORSDOF 2