REMARK  Name = BDB042797
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.648  -1.833   0.163  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.516  -1.377   0.265  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -3.337  -2.252   0.239  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -2.076  -1.671   0.322  0.00  0.00    +0.032 A 
ATOM      5  C   LIG    1       -0.921  -2.451   0.352  0.00  0.00    +0.040 A 
ATOM      6  N   LIG    1        0.352  -1.895   0.530  0.00  0.00    -0.339 N 
ATOM      7  H   LIG    1        0.615  -1.937   1.516  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1        0.520  -0.533  -0.038  0.00  0.00    +0.087 C 
ATOM      9  C   LIG    1       -0.575   0.412   0.558  0.00  0.00    +0.092 C 
ATOM     10  C   LIG    1       -1.061  -3.841   0.341  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1       -2.325  -4.420   0.237  0.00  0.00    +0.126 A 
ATOM     12  F   LIG    1       -2.436  -5.754   0.208  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -1.982  -0.212   0.449  0.00  0.00    +0.080 A 
ATOM     14  N   LIG    1       -3.037   0.547   0.533  0.00  0.00    -0.175 NA
ATOM     15  C   LIG    1       -3.471  -3.639   0.180  0.00  0.00    +0.052 A 
ATOM     16  N   LIG    1       -4.265  -0.036   0.432  0.00  0.00    -0.242 N 
ATOM     17  H   LIG    1       -5.065   0.590   0.459  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   9  18
ATOM     18  C   LIG    1       -0.586   1.849   0.041  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1       -0.859   2.208  -1.293  0.00  0.00    +0.045 A 
ATOM     20 CL   LIG    1       -1.221   1.044  -2.518  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -0.859   3.552  -1.683  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.603   4.558  -0.754  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -0.353   4.226   0.573  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -0.350   2.886   0.969  0.00  0.00    +0.006 A 
ENDBRANCH   9  18
BRANCH   8  25
ATOM     25  C   LIG    1        2.011  -0.107   0.223  0.00  0.00    +0.014 C 
ATOM     26  C   LIG    1        2.454   1.120  -0.598  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        3.944   1.409  -0.447  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1        4.721   0.275  -0.809  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        4.447  -0.839   0.032  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1        2.992  -1.265  -0.099  0.00  0.00    +0.033 C 
ENDBRANCH   8  25
TORSDOF 2