REMARK  Name = BDB057092
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.243   1.385  -0.086  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        1.567   1.007   0.168  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        1.734  -0.284   0.601  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        0.905  -0.747   0.921  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        2.492   1.804   0.024  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1       -2.414  -1.976   0.543  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1       -2.232  -1.475  -0.817  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1       -0.926  -0.698  -0.979  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -0.972   0.533  -0.062  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1       -1.457   0.213   1.362  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1       -1.702  -1.276   1.605  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -3.792  -2.360   0.857  0.00  0.00    +0.084 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -6.161  -1.701   1.409  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1       -4.753  -1.195   1.128  0.00  0.00    +0.012 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        2.941  -0.979   0.824  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1        4.202  -0.492   0.472  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1        5.364  -1.248   0.714  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1        5.246  -2.505   1.324  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        3.991  -3.002   1.669  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        2.847  -2.245   1.416  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        6.715  -0.690   0.344  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1        7.156   0.242   1.233  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        7.692  -1.641   0.291  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1        6.728  -0.084  -0.876  0.00  0.00    -0.166 F 
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     25  C   LIG    1        0.029   2.825  -0.307  0.00  0.00    +0.112 C 
BRANCH  25  26
ATOM     26  C   LIG    1        0.304   3.286  -1.752  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -0.787   2.833  -2.721  0.00  0.00    +0.009 C 
ATOM     28  C   LIG    1        0.421   4.812  -1.793  0.00  0.00    +0.009 C 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7