REMARK  Name = BDB060965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.798  -2.095   1.329  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        3.206  -0.971   0.545  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1        1.805  -0.548   0.691  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1        0.923  -1.135   1.520  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1        1.603   0.590  -0.223  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1        2.844   0.790  -0.860  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1        3.008   1.799  -1.799  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.913   2.605  -2.091  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        0.678   2.418  -1.466  0.00  0.00    +0.039 A 
ATOM     10  F   LIG    1        2.045   3.586  -2.994  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        0.516   1.401  -0.521  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        3.826  -0.191  -0.367  0.00  0.00    -0.025 C 
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1       -0.481  -0.771   1.709  0.00  0.00    -0.021 A 
ATOM     14  C   LIG    1       -1.470  -1.351   0.910  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1       -2.804  -0.979   1.077  0.00  0.00    +0.129 A 
ATOM     16  C   LIG    1       -3.164  -0.064   2.070  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -2.179   0.510   2.873  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1       -0.839   0.160   2.692  0.00  0.00    +0.008 A 
BRANCH  15  19
ATOM     19  O   LIG    1       -3.737  -1.598   0.277  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -4.629  -0.785  -0.385  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1       -4.231   0.349  -1.099  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -5.185   1.110  -1.777  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -6.527   0.730  -1.753  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -6.918  -0.415  -1.058  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.967  -1.178  -0.380  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   4  13
BRANCH  12  26
ATOM     26  C   LIG    1        5.231  -0.244  -0.869  0.00  0.00    +0.156 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.097   0.818  -0.227  0.00  0.00    +0.309 C 
ATOM     28  O   LIG    1        5.948   1.361   0.856  0.00  0.00    -0.251 OA
BRANCH  27  29
ATOM     29  O   LIG    1        7.174   1.116  -0.986  0.00  0.00    -0.480 OA
ATOM     30  H   LIG    1        7.653   1.787  -0.455  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  12  26
TORSDOF 6