REMARK  Name = BDB033061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.002  -0.611  -0.648  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -0.247  -0.229   0.140  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -1.047  -1.428   0.096  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.267  -2.554  -0.121  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -0.639  -3.714  -0.064  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1        1.151  -2.109  -0.378  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        3.362  -0.314  -2.202  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        3.304   0.182  -1.084  0.00  0.00    +0.263 C 
ATOM      9  N   LIG    1        2.180   0.150  -0.283  0.00  0.00    -0.305 N 
ATOM     10  H   LIG    1        2.304   0.488   0.670  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.484   0.871  -0.474  0.00  0.00    +0.130 A 
ATOM     12  N   LIG    1        4.315   1.330   0.788  0.00  0.00    -0.213 NA
ATOM     13  C   LIG    1        5.392   1.935   1.294  0.00  0.00    +0.223 A 
ATOM     14 CL   LIG    1        5.242   2.537   2.883  0.00  0.00    -0.041 Cl
ATOM     15  N   LIG    1        6.576   2.120   0.693  0.00  0.00    -0.226 NA
ATOM     16  C   LIG    1        6.677   1.638  -0.558  0.00  0.00    +0.116 A 
ATOM     17  C   LIG    1        5.649   0.995  -1.203  0.00  0.00    +0.053 A 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  18
ATOM     18  C   LIG    1       -2.399  -1.490   0.620  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.360  -0.649  -0.193  0.00  0.00    -0.018 A 
ATOM     20  C   LIG    1       -3.924   0.556   0.285  0.00  0.00    +0.059 A 
ATOM     21  C   LIG    1       -4.804   1.275  -0.548  0.00  0.00    +0.013 A 
ATOM     22  C   LIG    1       -5.117   0.818  -1.828  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -4.559  -0.364  -2.298  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.687  -1.091  -1.489  0.00  0.00    +0.006 A 
BRANCH  20  25
ATOM     25  C   LIG    1       -3.611   1.092   1.664  0.00  0.00    +0.418 C 
ATOM     26  F   LIG    1       -4.009   0.248   2.656  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -2.277   1.293   1.855  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -4.204   2.288   1.937  0.00  0.00    -0.166 F 
ENDBRANCH  20  25
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 5