REMARK  Name = BDB059712
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.243   0.404   0.162  0.00  0.00    +0.099 A 
ATOM      2  C   LIG    1        1.876   0.179  -0.112  0.00  0.00    +0.104 A 
ATOM      3  C   LIG    1        1.512  -0.411  -1.325  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1        0.143  -0.490  -1.281  0.00  0.00    -0.342 N 
ATOM      5  H   LIG    1       -0.452  -0.872  -2.002  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -0.286   0.044  -0.093  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1        2.425  -0.799  -2.307  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        3.772  -0.568  -2.028  0.00  0.00    +0.041 A 
ATOM      9  N   LIG    1        0.740   0.452   0.621  0.00  0.00    -0.231 NA
ATOM     10  C   LIG    1        4.166   0.018  -0.824  0.00  0.00    +0.138 A 
ATOM     11  F   LIG    1        5.485   0.199  -0.639  0.00  0.00    -0.205 F 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -1.730   0.127   0.307  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1       -2.373  -1.259   0.396  0.00  0.00    +0.026 C 
ATOM     14  C   LIG    1       -3.831  -1.153   0.850  0.00  0.00    +0.081 C 
ATOM     15  N   LIG    1       -4.547   0.005   0.315  0.00  0.00    -0.316 NA
ATOM     16  H   LIG    1       -5.528  -0.228   0.165  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1       -3.947   0.544  -0.895  0.00  0.00    +0.081 C 
ATOM     18  C   LIG    1       -2.534   1.060  -0.617  0.00  0.00    +0.026 C 
ENDBRANCH   6  12
BRANCH   1  22
ATOM     19  N   LIG    1        4.962   1.446   1.552  0.00  0.00    -0.325 N 
ATOM     20  H   LIG    1        5.255   1.807   2.450  0.00  0.00    +0.145 HD
ATOM     21  H   LIG    1        5.661   1.284   0.838  0.00  0.00    +0.145 HD
ATOM     22  C   LIG    1        3.666   1.014   1.447  0.00  0.00    +0.246 C 
ATOM     23  O   LIG    1        2.925   1.139   2.413  0.00  0.00    -0.270 OA
ENDBRANCH   1  22
TORSDOF 2