REMARK  Name = BDB060972
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.097   1.549  -0.942  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -0.748   0.389  -0.534  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1       -0.216  -0.898  -0.067  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1        1.048  -1.331   0.081  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1       -1.373  -1.751   0.252  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1       -2.512  -0.977  -0.029  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -3.784  -1.496   0.169  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.892  -2.799   0.649  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1       -2.763  -3.575   0.929  0.00  0.00    +0.039 A 
ATOM     10  F   LIG    1       -5.109  -3.323   0.847  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -1.484  -3.050   0.731  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -2.101   0.350  -0.516  0.00  0.00    -0.025 C 
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1        2.281  -0.594  -0.202  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        2.893   0.164   0.803  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        4.076   0.870   0.544  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1        4.740   1.660   1.631  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1        4.657   0.780  -0.727  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1        4.054   0.019  -1.729  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        2.868  -0.667  -1.468  0.00  0.00    +0.008 A 
ENDBRANCH   4  13
BRANCH  12  20
ATOM     20  C   LIG    1       -3.092   1.393  -0.919  0.00  0.00    +0.156 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.680   2.111   0.277  0.00  0.00    +0.309 C 
ATOM     22  O   LIG    1       -3.268   2.140   1.424  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -4.784   2.815  -0.057  0.00  0.00    -0.480 OA
ATOM     24  H   LIG    1       -5.050   3.240   0.786  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  12  20
TORSDOF 4