REMARK  Name = BDB060962
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.473  -1.641  -1.210  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1       -1.622  -0.909  -0.227  0.00  0.00    -0.038 C 
ATOM      3  C   LIG    1       -0.233  -0.514  -0.511  0.00  0.00    -0.014 C 
ATOM      4  C   LIG    1        0.406  -0.786  -1.663  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1        0.262   0.198   0.680  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1       -0.810   0.198   1.595  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1       -0.683   0.798   2.841  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        0.532   1.396   3.158  0.00  0.00    +0.124 A 
ATOM      9  C   LIG    1        1.602   1.401   2.260  0.00  0.00    +0.039 A 
ATOM     10  F   LIG    1        0.681   1.981   4.354  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        1.471   0.797   1.006  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -1.970  -0.494   1.010  0.00  0.00    -0.025 C 
ENDROOT
BRANCH   4  13
ATOM     13  C   LIG    1        1.779  -0.428  -2.016  0.00  0.00    -0.022 A 
ATOM     14  C   LIG    1        2.046   0.784  -2.658  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        3.357   1.108  -2.991  0.00  0.00    +0.124 A 
ATOM     16  F   LIG    1        3.613   2.272  -3.603  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        4.408   0.246  -2.696  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        4.146  -0.965  -2.058  0.00  0.00    +0.003 A 
ATOM     19  C   LIG    1        2.833  -1.303  -1.720  0.00  0.00    +0.008 A 
ENDBRANCH   4  13
BRANCH  12  20
ATOM     20  C   LIG    1       -3.256  -0.673   1.748  0.00  0.00    +0.156 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.099   0.584   1.714  0.00  0.00    +0.309 C 
ATOM     22  O   LIG    1       -4.113   1.458   0.865  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -4.951   0.647   2.761  0.00  0.00    -0.480 OA
ATOM     24  H   LIG    1       -5.443   1.482   2.608  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  12  20
TORSDOF 4