REMARK  Name = BDB050057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.296  -1.435   0.693  0.00  0.00    +0.185 A 
ATOM      2  N   LIG    1        0.978  -1.821   0.494  0.00  0.00    -0.191 N 
ATOM      3  C   LIG    1        0.913  -3.127   0.934  0.00  0.00    +0.178 A 
ATOM      4  C   LIG    1       -0.328  -3.784   0.851  0.00  0.00    +0.053 A 
ATOM      5  C   LIG    1       -1.377  -3.124   0.349  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -1.194  -1.708  -0.107  0.00  0.00    +0.140 A 
ATOM      7  N   LIG    1        2.090  -3.519   1.360  0.00  0.00    -0.128 NA
ATOM      8  N   LIG    1       -0.049  -1.083  -0.034  0.00  0.00    -0.148 NA
ATOM      9  N   LIG    1        2.957  -2.467   1.201  0.00  0.00    -0.127 NA
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.921   1.167  -0.110  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1        4.285  -0.051   0.188  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        2.894  -0.130   0.379  0.00  0.00    +0.022 A 
ATOM     13  C   LIG    1        2.148   1.053   0.288  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        2.768   2.272   0.001  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.146   2.330  -0.196  0.00  0.00    +0.012 A 
BRANCH  10  17
ATOM     16  F   LIG    1        6.825   2.271  -1.059  0.00  0.00    -0.166 F 
ATOM     17  C   LIG    1        6.417   1.220  -0.292  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1        7.080   1.345   0.890  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        6.924   0.108  -0.893  0.00  0.00    -0.166 F 
ENDBRANCH  10  17
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1       -2.292  -1.059  -0.622  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -3.208  -1.454  -0.415  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.354   0.384  -0.850  0.00  0.00    +0.074 C 
ATOM     23  C   LIG    1       -2.585   1.120   0.470  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -3.944   0.772   1.089  0.00  0.00    +0.082 C 
ATOM     25  N   LIG    1       -4.965   0.388   0.107  0.00  0.00    -0.316 NA
ATOM     26  H   LIG    1       -5.890   0.578   0.494  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -4.792   1.104  -1.152  0.00  0.00    +0.082 C 
ATOM     28  C   LIG    1       -3.490   0.688  -1.843  0.00  0.00    +0.037 C 
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 4