REMARK  Name = BDB019544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.127  -0.215  -1.168  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.709   1.057  -1.225  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.033   1.259  -0.809  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1       -2.762   0.157  -0.329  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -2.199  -1.130  -0.276  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -0.879  -1.307  -0.719  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.637   2.600  -0.861  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -3.660   2.950  -1.769  0.00  0.00    +0.051 A 
ATOM      9 CL   LIG    1       -4.282   1.820  -2.924  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -4.204   4.237  -1.777  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -3.730   5.185  -0.881  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -4.252   6.418  -0.889  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -2.723   4.875   0.022  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -2.179   3.590   0.032  0.00  0.00    +0.013 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     15  O   LIG    1        1.744   0.376  -2.466  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        1.285  -0.369  -1.609  0.00  0.00    +0.244 C 
ATOM     17  N   LIG    1        2.015  -1.347  -0.968  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        1.646  -1.756  -0.120  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.432  -1.501  -1.207  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.236  -0.718  -0.199  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        4.673  -1.317   0.992  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1        5.397  -0.579   1.936  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1        5.903  -1.395   3.373  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1        5.684   0.769   1.699  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1        6.570   1.741   2.819  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        5.243   1.374   0.519  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        4.521   0.636  -0.421  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  16
BRANCH   5  28
ATOM     28  C   LIG    1       -3.033  -2.297   0.200  0.00  0.00    +0.157 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -2.330  -3.112   1.178  0.00  0.00    -0.332 N 
ATOM     30  C   LIG    1       -1.978  -2.725   2.440  0.00  0.00    +0.199 A 
ATOM     31  N   LIG    1       -1.342  -3.684   3.074  0.00  0.00    -0.244 NA
ATOM     32  C   LIG    1       -1.306  -4.737   2.198  0.00  0.00    +0.130 A 
ATOM     33  C   LIG    1       -1.917  -4.406   1.011  0.00  0.00    +0.107 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6