REMARK  Name = BDB061225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.177  -0.090   0.548  0.00  0.00    +0.092 A 
ATOM      2  N   LIG    1       -1.086  -0.726   1.744  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1        0.137  -1.061   2.199  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        1.307  -0.791   1.517  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1        1.206  -0.137   0.290  0.00  0.00    +0.062 A 
ATOM      6  C   LIG    1       -0.052   0.220  -0.205  0.00  0.00    +0.045 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -6.001  -0.196   0.147  0.00  0.00    +0.172 C 
ATOM      8  N   LIG    1       -4.650   0.236  -0.119  0.00  0.00    -0.274 N 
ATOM      9  N   LIG    1       -3.635  -0.358   0.523  0.00  0.00    -0.170 NA
ATOM     10  C   LIG    1       -2.527   0.265   0.077  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -2.886   1.262  -0.878  0.00  0.00    +0.051 A 
ATOM     12  C   LIG    1       -4.256   1.213  -0.978  0.00  0.00    +0.108 A 
ENDBRANCH   1  10
BRANCH   5  13
ATOM     13  C   LIG    1        2.397   0.203  -0.529  0.00  0.00    +0.340 C 
ATOM     14  O   LIG    1        2.337   0.795  -1.594  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1        3.534  -0.231   0.065  0.00  0.00    -0.452 OA
BRANCH  15  16
ATOM     16  C   LIG    1        4.732   0.065  -0.680  0.00  0.00    +0.345 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.960  -0.446   0.052  0.00  0.00    +0.424 C 
ATOM     18  F   LIG    1        6.085   0.128   1.270  0.00  0.00    -0.167 F 
ATOM     19  F   LIG    1        7.085  -0.168  -0.646  0.00  0.00    -0.167 F 
ATOM     20  F   LIG    1        5.911  -1.786   0.228  0.00  0.00    -0.167 F 
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   5  13
TORSDOF 5