REMARK  Name = BDB062203
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.680  -3.544   0.757  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -0.769  -2.401   0.356  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        0.313  -1.428   0.048  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.605  -1.725   0.238  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1       -0.244  -0.255  -0.417  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -1.530  -0.459  -0.375  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1       -1.886  -1.690   0.065  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -2.816  -2.068   0.099  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        2.756  -0.845  -0.015  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.871  -0.944   0.833  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.964  -0.143   0.573  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        6.115  -0.112   1.298  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        6.865   0.884   0.573  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.159   1.419  -0.565  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        4.990   0.729  -0.488  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        3.925   0.846  -1.351  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        2.802   0.045  -1.112  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -2.443   0.462  -0.786  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -2.018   1.293  -1.187  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -3.749   0.683  -0.311  0.00  0.00    +0.036 A 
ATOM     21  C   LIG    1       -4.633   1.415  -1.115  0.00  0.00    +0.061 A 
ATOM     22  C   LIG    1       -5.948   1.626  -0.708  0.00  0.00    +0.125 A 
ATOM     23  F   LIG    1       -6.775   2.327  -1.494  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -6.416   1.119   0.496  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -5.552   0.390   1.307  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.230   0.172   0.903  0.00  0.00    +0.023 A 
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 3