REMARK  Name = BDB016966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.029   1.712  -3.684  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1        1.028   0.940  -2.986  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        0.914   0.401  -1.722  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        2.131  -0.241  -1.514  0.00  0.00    +0.115 A 
ATOM      5  N   LIG    1        2.950  -0.091  -2.623  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1        2.258   0.619  -3.480  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.276   0.548  -0.894  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.310  -0.387  -0.972  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -2.461  -0.230  -0.194  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -2.611   0.857   0.684  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -1.559   1.787   0.746  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -0.405   1.636  -0.029  0.00  0.00    +0.010 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -3.872   1.028   1.527  0.00  0.00    +0.091 C 
ATOM     14  C   LIG    1       -4.266  -0.119   2.455  0.00  0.00    +0.021 C 
ATOM     15  C   LIG    1       -3.703   1.139   3.041  0.00  0.00    +0.021 C 
BRANCH  13  16
ATOM     16  C   LIG    1       -4.971   1.830   0.863  0.00  0.00    +0.399 C 
ATOM     17  F   LIG    1       -6.060   1.944   1.664  0.00  0.00    -0.170 F 
ATOM     18  F   LIG    1       -5.378   1.244  -0.288  0.00  0.00    -0.170 F 
ATOM     19  F   LIG    1       -4.554   3.085   0.570  0.00  0.00    -0.170 F 
ENDBRANCH  13  16
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   4  20
ATOM     20  C   LIG    1        2.557  -0.985  -0.328  0.00  0.00    +0.092 A 
ATOM     21  N   LIG    1        1.690  -1.081   0.711  0.00  0.00    -0.253 NA
ATOM     22  C   LIG    1        2.082  -1.766   1.804  0.00  0.00    +0.112 A 
ATOM     23  C   LIG    1        3.315  -2.374   1.923  0.00  0.00    +0.035 A 
ATOM     24  C   LIG    1        4.198  -2.269   0.850  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1        3.819  -1.566  -0.293  0.00  0.00    +0.045 A 
BRANCH  24  26
ATOM     26  C   LIG    1        5.521  -2.918   0.972  0.00  0.00    +0.337 C 
ATOM     27  O   LIG    1        5.916  -3.546   1.937  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        6.288  -2.753  -0.119  0.00  0.00    -0.477 OA
ATOM     29  H   LIG    1        7.120  -3.225   0.095  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH   4  20
TORSDOF 6