REMARK  Name = BDB061792
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.328  -2.073  -1.393  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.202  -1.625  -2.702  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1       -1.252  -1.619  -3.536  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        1.020  -1.142  -3.158  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1        2.122  -1.106  -2.297  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.011  -1.563  -0.973  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1        0.775  -2.064  -0.533  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  16
ATOM      8  C   LIG    1       -2.997   0.425   0.968  0.00  0.00    +0.093 C 
ATOM      9  N   LIG    1       -4.179  -0.230   1.572  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1       -5.050   0.397   2.457  0.00  0.00    +0.213 C 
ATOM     11  O   LIG    1       -6.151  -0.072   2.750  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1       -4.588   1.683   3.096  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1       -4.636  -1.474   0.943  0.00  0.00    +0.127 C 
ATOM     14  C   LIG    1       -3.496  -2.447   0.639  0.00  0.00    +0.127 C 
ATOM     15  N   LIG    1       -2.363  -1.809  -0.030  0.00  0.00    -0.294 N 
ATOM     16  C   LIG    1       -1.621  -2.585  -0.919  0.00  0.00    +0.249 C 
ATOM     17  O   LIG    1       -1.964  -3.695  -1.317  0.00  0.00    -0.270 OA
ATOM     18  C   LIG    1       -1.877  -0.580   0.608  0.00  0.00    +0.130 C 
BRANCH   8  20
ATOM     19  C   LIG    1       -3.605   0.754  -1.561  0.00  0.00    +0.006 C 
ATOM     20  C   LIG    1       -3.368   1.380  -0.194  0.00  0.00    +0.021 C 
ENDBRANCH   8  20
ENDBRANCH   1  16
BRANCH   6  21
ATOM     21  C   LIG    1        3.179  -1.495  -0.010  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1        3.481  -0.127   0.409  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1        4.558   0.622  -0.161  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1        4.781   1.938   0.265  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1        5.818   2.719  -0.265  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1        6.657   2.188  -1.237  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        6.457   0.882  -1.674  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        3.907   2.517   1.296  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1        4.040   3.669   1.690  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1        2.933   1.694   1.786  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1        2.327   2.084   2.491  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1        5.419   0.106  -1.142  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1        2.656   0.419   1.386  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1        1.703  -0.171   1.896  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 4