REMARK  Name = BDB057075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.171  -0.477  -0.617  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -0.450   0.770  -0.470  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -1.828   0.706  -0.410  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.207  -0.187  -0.134  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        0.194   1.810  -0.372  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        4.411   0.407  -0.228  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        3.894  -0.088  -1.514  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        2.380   0.059  -1.678  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.642  -0.592  -0.502  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        2.193  -0.110   0.849  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        3.716  -0.252   0.888  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        4.377   1.880  -0.167  0.00  0.00    +0.084 C 
BRANCH  12  14
ATOM     13  C   LIG    1        5.260   3.967   0.941  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1        5.192   2.447   1.002  0.00  0.00    +0.012 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -2.737   1.784  -0.406  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -4.073   1.494  -0.098  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -5.053   2.503  -0.088  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1       -4.674   3.818  -0.385  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -3.349   4.111  -0.702  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -2.387   3.098  -0.717  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -6.479   2.175   0.273  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1       -7.385   3.039  -0.264  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -6.691   2.196   1.618  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -6.859   0.934  -0.144  0.00  0.00    -0.166 F 
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     25  C   LIG    1       -0.524  -1.646  -1.166  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -0.963  -2.663  -0.132  0.00  0.00    -0.026 A 
ATOM     27  C   LIG    1       -1.382  -3.928  -0.582  0.00  0.00    +0.054 A 
ATOM     28  C   LIG    1       -1.809  -4.851   0.350  0.00  0.00    +0.167 A 
ATOM     29  O   LIG    1       -2.241  -6.111   0.079  0.00  0.00    -0.453 OA
ATOM     30  C   LIG    1       -2.542  -6.587   1.408  0.00  0.00    +0.466 C 
ATOM     31  O   LIG    1       -2.294  -5.606   2.437  0.00  0.00    -0.453 OA
ATOM     32  C   LIG    1       -1.840  -4.564   1.693  0.00  0.00    +0.166 A 
ATOM     33  C   LIG    1       -1.447  -3.337   2.178  0.00  0.00    +0.050 A 
ATOM     34  C   LIG    1       -1.008  -2.380   1.255  0.00  0.00    +0.009 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7