REMARK  Name = BDB060967
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.545  -0.701  -3.118  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -0.804  -0.603  -1.650  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1        0.235  -0.204  -0.687  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1        1.498   0.110  -1.028  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1       -0.386  -0.230   0.649  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1       -1.722  -0.626   0.440  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -2.602  -0.758   1.505  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -2.126  -0.486   2.784  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1       -0.804  -0.090   3.003  0.00  0.00    +0.039 A 
ATOM     10  F   LIG    1       -2.953  -0.607   3.830  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        0.079   0.040   1.929  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -1.960  -0.848  -0.997  0.00  0.00    -0.025 C 
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1        2.578   0.513  -0.128  0.00  0.00    -0.023 A 
ATOM     14  C   LIG    1        2.769   1.864   0.180  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        3.803   2.236   1.039  0.00  0.00    +0.018 A 
ATOM     16 BR   LIG    1        4.056   4.061   1.462  0.00  0.00    -0.050 Br
ATOM     17  C   LIG    1        4.649   1.275   1.591  0.00  0.00    +0.015 A 
ATOM     18  C   LIG    1        4.461  -0.072   1.282  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        3.429  -0.453   0.422  0.00  0.00    +0.008 A 
ENDBRANCH   4  13
BRANCH  12  20
ATOM     20  C   LIG    1       -3.286  -1.284  -1.530  0.00  0.00    +0.156 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.364  -0.217  -1.428  0.00  0.00    +0.309 C 
ATOM     22  O   LIG    1       -5.525  -0.470  -1.132  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -3.969   1.034  -1.751  0.00  0.00    -0.480 OA
ATOM     24  H   LIG    1       -3.015   1.113  -1.945  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  12  20
TORSDOF 4