REMARK  Name = BDB060961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.800  -0.969  -2.436  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -1.406  -0.222  -1.204  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1       -0.032  -0.219  -0.679  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1        0.994  -0.874  -1.252  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1       -0.041   0.614   0.536  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1       -1.371   1.054   0.685  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -1.736   1.867   1.750  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -0.750   2.236   2.660  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        0.572   1.809   2.519  0.00  0.00    +0.039 A 
ATOM     10  F   LIG    1       -1.075   3.022   3.695  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        0.936   0.988   1.449  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -2.201   0.524  -0.409  0.00  0.00    -0.025 C 
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1        2.381  -0.918  -0.788  0.00  0.00    -0.024 A 
ATOM     14  C   LIG    1        2.790  -1.915   0.108  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        4.115  -1.957   0.547  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        5.020  -1.007   0.087  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1        6.290  -1.049   0.510  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        4.628  -0.015  -0.804  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        3.304   0.031  -1.245  0.00  0.00    +0.011 A 
ENDBRANCH   4  13
BRANCH  12  20
ATOM     20  C   LIG    1       -3.652   0.839  -0.553  0.00  0.00    +0.156 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.478  -0.041   0.352  0.00  0.00    +0.309 C 
ATOM     22  O   LIG    1       -4.675   0.125   1.546  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -5.004  -1.107  -0.284  0.00  0.00    -0.480 OA
ATOM     24  H   LIG    1       -5.474  -1.595   0.425  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  12  20
TORSDOF 4