REMARK  Name = BDB048868
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.442  -0.600  -1.845  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.639  -0.219  -2.718  0.00  0.00    +0.075 C 
BRANCH   2  12
ATOM      3  O   LIG    1        4.975  -3.099  -1.057  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        4.569  -1.949  -1.165  0.00  0.00    +0.259 A 
ATOM      5  C   LIG    1        5.290  -0.803  -0.584  0.00  0.00    +0.066 A 
ATOM      6  C   LIG    1        4.738   0.471  -0.760  0.00  0.00    +0.096 A 
ATOM      7  C   LIG    1        5.425   1.560  -0.200  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        6.621   1.373   0.506  0.00  0.00    +0.022 A 
ATOM      9  C   LIG    1        7.150   0.093   0.666  0.00  0.00    +0.002 A 
ATOM     10 CL   LIG    1        4.823   3.174  -0.355  0.00  0.00    -0.081 Cl
ATOM     11  N   LIG    1        3.534   0.662  -1.472  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        2.940  -0.371  -1.969  0.00  0.00    +0.110 A 
ATOM     13  C   LIG    1        6.484  -1.002   0.121  0.00  0.00    +0.015 A 
ATOM     14  N   LIG    1        3.411  -1.646  -1.832  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1        2.918  -2.431  -2.234  0.00  0.00    +0.170 HD
ENDBRANCH   2  12
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.216   0.407  -0.706  0.00  0.00    +0.085 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -1.022   0.130   0.038  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1       -1.456   1.328   0.779  0.00  0.00    +0.085 C 
ATOM     19  C   LIG    1       -2.280   1.038   2.040  0.00  0.00    +0.023 C 
ATOM     20  C   LIG    1       -3.150  -0.220   1.927  0.00  0.00    +0.021 C 
ATOM     21  C   LIG    1       -2.326  -1.423   1.421  0.00  0.00    +0.023 C 
ATOM     22  C   LIG    1       -0.932  -1.040   0.909  0.00  0.00    +0.085 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.428   0.053   1.142  0.00  0.00    -0.044 A 
ATOM     24  C   LIG    1       -5.611   0.358   1.841  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -6.796   0.631   1.155  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -6.805   0.606  -0.233  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1       -7.942   0.869  -0.891  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -5.651   0.317  -0.948  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1       -4.465   0.043  -0.262  0.00  0.00    +0.007 A 
ENDBRANCH  20  23
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5