REMARK  Name = BDB018569
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.169   5.385  -1.361  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.183   3.970  -1.018  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -3.381   3.270  -1.079  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -4.464   3.745  -1.406  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.306   1.835  -0.711  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.141   1.261  -0.360  0.00  0.00    -0.002 A 
ATOM      7  C   LIG    1       -0.903   2.061  -0.333  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.992   3.367  -0.655  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -2.210  -0.165   0.011  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -2.301  -1.162  -0.954  0.00  0.00    +0.119 A 
ATOM     11  N   LIG    1       -2.302  -2.488  -0.680  0.00  0.00    -0.250 NA
ATOM     12  C   LIG    1       -2.237  -2.867   0.631  0.00  0.00    +0.144 A 
ATOM     13  C   LIG    1       -2.147  -1.927   1.660  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1       -2.135  -0.568   1.345  0.00  0.00    +0.012 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -2.203  -4.352   0.975  0.00  0.00    +0.434 C 
ATOM     16  F   LIG    1       -2.898  -5.138   0.106  0.00  0.00    -0.164 F 
ATOM     17  F   LIG    1       -0.931  -4.849   0.997  0.00  0.00    -0.164 F 
ATOM     18  F   LIG    1       -2.721  -4.624   2.209  0.00  0.00    -0.164 F 
ENDBRANCH  12  15
ENDBRANCH   6   9
BRANCH   7  19
ATOM     19  C   LIG    1        0.358   1.487   0.036  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1        0.932   0.345  -0.476  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1        2.127   0.147   0.191  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1        2.358   1.153   1.061  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1        1.296   1.952   0.972  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1        3.022  -0.960   0.072  0.00  0.00    +0.084 A 
ATOM     25  C   LIG    1        4.323  -0.947   0.632  0.00  0.00    +0.095 A 
ATOM     26  C   LIG    1        5.125  -2.099   0.500  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1        6.732  -2.192   1.146  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        4.659  -3.233  -0.171  0.00  0.00    +0.021 A 
ATOM     29  C   LIG    1        3.385  -3.239  -0.725  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        2.572  -2.113  -0.606  0.00  0.00    +0.029 A 
BRANCH  25  31
ATOM     31  C   LIG    1        4.899   0.201   1.285  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1        5.433   1.096   1.799  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  21  24
ENDBRANCH   7  19
TORSDOF 5