REMARK  Name = BDB060964
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.381   0.211  -2.723  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        3.220   0.099  -1.244  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1        1.908   0.149  -0.579  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1        0.739   0.284  -1.229  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1        2.157   0.025   0.868  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1        3.555  -0.089   1.005  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1        4.140  -0.222   2.257  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        3.306  -0.241   3.370  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        1.919  -0.131   3.247  0.00  0.00    +0.039 A 
ATOM     10  F   LIG    1        3.845  -0.370   4.590  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        1.333   0.004   1.985  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        4.195  -0.040  -0.320  0.00  0.00    -0.025 C 
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1       -0.597   0.345  -0.636  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1       -1.138   1.577  -0.252  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -2.412   1.635   0.317  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1       -3.153   0.466   0.484  0.00  0.00    +0.128 A 
ATOM     17  C   LIG    1       -2.611  -0.770   0.120  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1       -1.337  -0.828  -0.449  0.00  0.00    +0.011 A 
BRANCH  16  19
ATOM     19  O   LIG    1       -4.386   0.589   1.083  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -5.435  -0.100   0.518  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1       -6.275  -0.800   1.385  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -7.375  -1.492   0.880  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -7.644  -1.470  -0.489  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.817  -0.750  -1.353  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.715  -0.057  -0.850  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   4  13
BRANCH  12  26
ATOM     26  C   LIG    1        5.672  -0.157  -0.505  0.00  0.00    +0.156 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.377   1.150  -0.212  0.00  0.00    +0.309 C 
ATOM     28  O   LIG    1        5.938   2.283  -0.317  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        7.662   0.958   0.157  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1        8.002   1.868   0.292  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  12  26
TORSDOF 6