REMARK  Name = BDB031061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.545   0.739  -1.487  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -0.594   0.060  -1.228  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1       -1.625   0.739  -0.692  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1       -1.556   2.101  -0.426  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.380   2.790  -0.711  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.694   2.099  -1.255  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        4.791   0.076  -0.174  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        3.494   0.333  -0.445  0.00  0.00    +0.097 A 
ATOM      9  N   LIG    1        2.887  -0.210  -1.582  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1        3.556  -1.057  -2.462  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1        2.771  -1.483  -3.426  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        1.555  -0.905  -3.172  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        4.922  -1.338  -2.186  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        1.598  -0.073  -2.068  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1        5.512  -0.803  -1.100  0.00  0.00    +0.009 A 
BRANCH   7  16
ATOM     16  C   LIG    1        5.536   0.589   1.010  0.00  0.00    +0.092 C 
ATOM     17  C   LIG    1        5.516   2.101   1.225  0.00  0.00    +0.021 C 
ATOM     18  C   LIG    1        6.769   1.445   0.732  0.00  0.00    +0.021 C 
BRANCH  16  20
ATOM     19  F   LIG    1        6.214   0.248   3.262  0.00  0.00    -0.170 F 
ATOM     20  C   LIG    1        5.535  -0.312   2.230  0.00  0.00    +0.399 C 
ATOM     21  F   LIG    1        4.273  -0.549   2.657  0.00  0.00    -0.170 F 
ATOM     22  F   LIG    1        6.120  -1.502   1.958  0.00  0.00    -0.170 F 
ENDBRANCH  16  20
ENDBRANCH   7  16
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  N   LIG    1       -2.772  -0.021  -0.458  0.00  0.00    -0.326 N 
ATOM     24  H   LIG    1       -2.479  -0.952  -0.760  0.00  0.00    +0.148 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.254  -0.016   0.927  0.00  0.00    +0.072 C 
ATOM     26  C   LIG    1       -3.874  -1.387   1.267  0.00  0.00    +0.031 C 
ATOM     27  C   LIG    1       -5.374  -1.171   1.075  0.00  0.00    -0.003 C 
ATOM     28  C   LIG    1       -5.935  -1.500  -0.333  0.00  0.00    +0.089 C 
ATOM     29  N   LIG    1       -6.352  -2.824   0.180  0.00  0.00    -0.315 NA
ATOM     30  H   LIG    1       -5.655  -3.551   0.015  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1       -6.322  -2.290   1.558  0.00  0.00    +0.089 C 
ATOM     32  C   LIG    1       -5.614   0.236   1.593  0.00  0.00    +0.011 C 
ATOM     33  C   LIG    1       -4.397   1.006   1.087  0.00  0.00    +0.023 C 
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 5