REMARK  Name = BDB057046
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.592   1.277  -0.128  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        2.388   0.236   0.480  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        1.119  -0.186   0.836  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1        1.004  -1.188   0.868  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1        3.334  -0.663   0.921  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        3.012  -1.308   1.627  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.059   0.587   0.441  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1       -1.238   0.227   1.349  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -2.564   0.646   0.721  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -2.808   0.049  -0.600  0.00  0.00    -0.298 NA
ATOM     11  C   LIG    1       -1.609  -0.507  -1.237  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -0.398   0.401  -1.046  0.00  0.00    +0.038 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -3.907  -0.928  -0.605  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.267  -0.302  -0.371  0.00  0.00    -0.032 A 
ATOM     15  C   LIG    1       -5.696   0.784  -1.151  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1       -6.956   1.344  -0.945  0.00  0.00    +0.041 A 
ATOM     17 CL   LIG    1       -7.466   2.680  -1.904  0.00  0.00    -0.084 Cl
ATOM     18  C   LIG    1       -7.807   0.829   0.030  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1       -7.395  -0.255   0.804  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -6.134  -0.820   0.603  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  21
ATOM     21  C   LIG    1        4.721  -0.637   0.676  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        5.330   0.225  -0.240  0.00  0.00    +0.035 A 
ATOM     23  C   LIG    1        6.722   0.191  -0.448  0.00  0.00    +0.057 A 
ATOM     24  C   LIG    1        7.500  -0.718   0.283  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        6.898  -1.586   1.191  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.515  -1.547   1.383  0.00  0.00    +0.023 A 
BRANCH  23  27
ATOM     27  C   LIG    1        7.360   1.146  -1.427  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        8.611   0.762  -1.810  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        7.499   2.400  -0.916  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        6.649   1.283  -2.580  0.00  0.00    -0.166 F 
ENDBRANCH  23  27
ENDBRANCH   5  21
TORSDOF 5