REMARK  Name = BDB000721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.290   1.126  -1.311  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -2.417   0.902  -0.520  0.00  0.00    +0.091 A 
ATOM      3  C   LIG    1       -2.604  -0.326   0.124  0.00  0.00    +0.124 A 
ATOM      4  C   LIG    1       -1.651  -1.336  -0.023  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -0.508  -1.119  -0.803  0.00  0.00    -0.018 A 
ATOM      6  C   LIG    1       -0.343   0.110  -1.452  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -1.918   3.354  -1.853  0.00  0.00    +0.277 C 
ATOM      8  O   LIG    1       -1.002   2.276  -1.995  0.00  0.00    -0.495 OA
ENDBRANCH   1   8
BRANCH   3   9
ATOM      9  O   LIG    1       -3.754  -0.409   0.863  0.00  0.00    -0.495 OA
ATOM     10  C   LIG    1       -3.995  -1.633   1.546  0.00  0.00    +0.277 C 
ENDBRANCH   3   9
BRANCH   5  11
ATOM     11  C   LIG    1        0.470  -2.203  -0.956  0.00  0.00    +0.009 C 
ATOM     12  C   LIG    1        1.788  -2.148  -0.699  0.00  0.00    +0.008 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.544  -1.007  -0.168  0.00  0.00    -0.025 A 
ATOM     14  C   LIG    1        3.699  -0.583  -0.841  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        4.451   0.485  -0.348  0.00  0.00    +0.039 A 
ATOM     16  C   LIG    1        4.053   1.122   0.821  0.00  0.00    +0.123 A 
ATOM     17  F   LIG    1        4.775   2.146   1.294  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1        2.920   0.707   1.510  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        2.168  -0.362   1.019  0.00  0.00    +0.011 A 
ENDBRANCH  12  13
ENDBRANCH   5  11
TORSDOF 4