REMARK  Name = BDB060971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.137   0.620  -2.678  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        1.839   0.074  -1.320  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1        0.466  -0.089  -0.816  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1       -0.636   0.236  -1.514  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1        0.571  -0.657   0.539  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1        1.951  -0.803   0.785  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1        2.410  -1.321   1.988  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.468  -1.691   2.943  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        0.098  -1.551   2.711  0.00  0.00    +0.039 A 
ATOM     10  F   LIG    1        1.883  -2.196   4.112  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -0.361  -1.030   1.498  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        2.720  -0.337  -0.382  0.00  0.00    -0.025 C 
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1       -2.026   0.102  -1.075  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1       -2.650   1.149  -0.385  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -3.978   1.024   0.047  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1       -4.652   2.158   0.761  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -4.682  -0.150  -0.245  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -4.064  -1.193  -0.936  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.738  -1.069  -1.350  0.00  0.00    +0.008 A 
ENDBRANCH   4  13
BRANCH  12  20
ATOM     20  C   LIG    1        4.213  -0.372  -0.422  0.00  0.00    +0.156 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.872   0.629   0.512  0.00  0.00    +0.309 C 
ATOM     22  O   LIG    1        5.890   0.380   1.144  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1        4.291   1.849   0.553  0.00  0.00    -0.480 OA
ATOM     24  H   LIG    1        3.472   1.918   0.026  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  12  20
TORSDOF 4