REMARK  Name = BDB060968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.376  -1.631  -1.414  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -1.591  -0.935  -0.352  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1       -0.197  -0.505  -0.543  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1        0.504  -0.705  -1.673  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1        0.223   0.153   0.707  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1       -0.895   0.092   1.562  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -0.844   0.630   2.841  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        0.343   1.228   3.252  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        1.458   1.294   2.413  0.00  0.00    +0.039 A 
ATOM     10  F   LIG    1        0.419   1.754   4.482  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        1.403   0.752   1.126  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -2.011  -0.588   0.884  0.00  0.00    -0.025 C 
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1        1.885  -0.302  -1.937  0.00  0.00    -0.023 A 
ATOM     14  C   LIG    1        2.158   0.958  -2.480  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        3.478   1.331  -2.729  0.00  0.00    +0.042 A 
ATOM     16 CL   LIG    1        3.815   2.884  -3.391  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1        4.528   0.460  -2.444  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.258  -0.799  -1.905  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        2.938  -1.180  -1.653  0.00  0.00    +0.008 A 
ENDBRANCH   4  13
BRANCH  12  20
ATOM     20  C   LIG    1       -3.329  -0.824   1.543  0.00  0.00    +0.156 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.193   0.419   1.527  0.00  0.00    +0.309 C 
ATOM     22  O   LIG    1       -4.178   1.335   0.723  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -5.100   0.416   2.528  0.00  0.00    -0.480 OA
ATOM     24  H   LIG    1       -5.599   1.249   2.390  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  12  20
TORSDOF 4