REMARK  Name = BDB060966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.493   2.659   0.668  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -4.070   1.237   0.503  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1       -2.661   0.835   0.370  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1       -1.626   1.694   0.402  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1       -2.647  -0.629   0.207  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1       -3.998  -1.029   0.251  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -4.349  -2.366   0.125  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -3.330  -3.297  -0.046  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1       -1.988  -2.913  -0.092  0.00  0.00    +0.039 A 
ATOM     10  F   LIG    1       -3.643  -4.594  -0.170  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -1.637  -1.566   0.035  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -4.864   0.147   0.435  0.00  0.00    -0.025 C 
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1       -0.206   1.366   0.278  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        0.552   1.084   1.418  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        1.911   0.769   1.305  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        2.520   0.736   0.050  0.00  0.00    +0.121 A 
ATOM     17  C   LIG    1        1.759   1.022  -1.087  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1        0.403   1.338  -0.978  0.00  0.00    +0.011 A 
BRANCH  16  19
ATOM     19  O   LIG    1        3.831   0.442  -0.204  0.00  0.00    -0.487 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.662   0.154   0.918  0.00  0.00    +0.264 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.055  -0.125   0.411  0.00  0.00    -0.010 A 
ATOM     22  C   LIG    1        6.468  -1.438   0.143  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        7.754  -1.691  -0.337  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        8.636  -0.635  -0.563  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        8.231   0.675  -0.314  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.946   0.930   0.166  0.00  0.00    +0.007 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   4  13
BRANCH  12  27
ATOM     27  C   LIG    1       -6.350   0.043   0.540  0.00  0.00    +0.156 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -6.996  -0.112  -0.820  0.00  0.00    +0.309 C 
ATOM     29  O   LIG    1       -6.589   0.286  -1.898  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -8.192  -0.736  -0.741  0.00  0.00    -0.480 OA
ATOM     31  H   LIG    1       -8.506  -0.751  -1.670  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  12  27
TORSDOF 7