REMARK  Name = BDB019748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.045   2.324   0.362  0.00  0.00    +0.125 A 
ATOM      2  C   LIG    1       -1.839   0.965   0.662  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.590   0.546   1.167  0.00  0.00    +0.021 A 
ATOM      4  C   LIG    1        0.442   1.467   1.373  0.00  0.00    +0.037 A 
ATOM      5  C   LIG    1        0.219   2.818   1.098  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -1.014   3.243   0.592  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.772   1.061   1.905  0.00  0.00    +0.244 C 
ATOM      8  N   LIG    1        2.182  -0.222   1.609  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1        1.689  -0.743   0.898  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1        2.449   1.862   2.540  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        3.502  -0.689   1.966  0.00  0.00    +0.140 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.463  -0.519   0.816  0.00  0.00    -0.028 A 
ATOM     13  C   LIG    1        4.705  -1.571  -0.077  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        5.578  -1.391  -1.149  0.00  0.00    +0.142 A 
ATOM     15  F   LIG    1        5.790  -2.420  -1.982  0.00  0.00    -0.204 F 
ATOM     16  C   LIG    1        6.214  -0.169  -1.351  0.00  0.00    +0.076 A 
ATOM     17 CL   LIG    1        7.291   0.055  -2.675  0.00  0.00    -0.081 Cl
ATOM     18  C   LIG    1        5.974   0.889  -0.475  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        5.100   0.714   0.602  0.00  0.00    +0.007 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   1  21
ATOM     20  C   LIG    1       -3.478   3.992  -0.565  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -3.280   2.653  -0.129  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
BRANCH   2  22
ATOM     22  C   LIG    1       -2.914  -0.076   0.438  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -2.636  -0.823  -0.774  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1       -1.651  -0.870  -1.008  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -3.240  -1.994  -1.056  0.00  0.00    +0.176 C 
ATOM     26  N   LIG    1       -4.555  -2.122  -0.747  0.00  0.00    -0.316 N 
ATOM     27  H   LIG    1       -5.092  -1.287  -0.949  0.00  0.00    +0.149 HD
ATOM     28  C   LIG    1       -5.024  -3.322  -1.409  0.00  0.00    +0.127 C 
ATOM     29  C   LIG    1       -3.704  -4.032  -1.726  0.00  0.00    +0.163 C 
ATOM     30  N   LIG    1       -2.639  -2.995  -1.631  0.00  0.00    -0.255 NA
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 7