REMARK  Name = BDB021884
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.276   0.290   0.021  0.00  0.00    -0.275 N 
ATOM      2  C   LIG    1        0.854  -0.545  -0.093  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.938   0.043  -0.706  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        1.945   1.054  -0.691  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.844  -1.700   0.329  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -3.912  -1.179   1.675  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1       -3.800   0.272   1.547  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -2.329   0.700   1.471  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -1.457  -0.303   0.692  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -2.315  -1.121  -0.278  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -3.415  -1.878   0.478  0.00  0.00    +0.086 C 
BRANCH   6  13
ATOM     12  C   LIG    1       -5.375  -3.065   2.403  0.00  0.00    +0.020 C 
ATOM     13  C   LIG    1       -5.275  -1.587   2.040  0.00  0.00    +0.081 C 
ENDBRANCH   6  13
ENDBRANCH   1   9
BRANCH   3  14
ATOM     14  C   LIG    1        3.149  -0.567  -1.092  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        4.187   0.281  -1.500  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        5.428  -0.235  -1.915  0.00  0.00    +0.057 A 
ATOM     17  C   LIG    1        5.617  -1.623  -1.921  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1        4.584  -2.472  -1.526  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        3.355  -1.946  -1.118  0.00  0.00    +0.023 A 
BRANCH  16  20
ATOM     20  C   LIG    1        6.526   0.707  -2.335  0.00  0.00    +0.417 C 
ATOM     21  F   LIG    1        6.945   1.506  -1.315  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        6.136   1.552  -3.331  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        7.642   0.078  -2.798  0.00  0.00    -0.166 F 
ENDBRANCH  16  20
ENDBRANCH   3  14
BRANCH   1  24
ATOM     24  C   LIG    1       -0.485   1.424  -0.890  0.00  0.00    +0.183 C 
BRANCH  24  25
ATOM     25  C   LIG    1        0.165   2.656  -0.358  0.00  0.00    +0.122 A 
ATOM     26  O   LIG    1        1.461   2.870  -0.740  0.00  0.00    -0.466 OA
ATOM     27  C   LIG    1        1.863   4.031  -0.163  0.00  0.00    +0.195 A 
ATOM     28  C   LIG    1        0.844   4.574   0.583  0.00  0.00    +0.041 A 
ATOM     29  C   LIG    1       -0.254   3.689   0.455  0.00  0.00    +0.046 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 6