REMARK  Name = BDB064215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.785  -0.814   0.427  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.460  -1.854   1.294  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.548  -2.694   1.017  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -1.168  -2.029   2.478  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -2.226  -1.171   2.790  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.597  -0.140   1.909  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.857   0.036   0.727  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1  13
ATOM      8  N   LIG    1        4.157  -0.646  -1.009  0.00  0.00    -0.299 N 
ATOM      9  C   LIG    1        3.481  -0.513  -2.218  0.00  0.00    +0.233 C 
ATOM     10  O   LIG    1        4.073  -0.471  -3.299  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        1.950  -0.343  -2.167  0.00  0.00    +0.204 C 
ATOM     12  N   LIG    1        1.306  -0.497  -0.864  0.00  0.00    -0.287 N 
ATOM     13  C   LIG    1       -0.076  -0.639  -0.852  0.00  0.00    +0.250 C 
ATOM     14  O   LIG    1       -0.761  -0.621  -1.873  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        2.110  -0.058   0.270  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        3.449  -0.786   0.260  0.00  0.00    +0.127 C 
BRANCH   8  17
ATOM     17  C   LIG    1        5.604  -0.842  -1.010  0.00  0.00    +0.108 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.342   0.482  -0.815  0.00  0.00    +0.019 C 
BRANCH  18  20
ATOM     19  C   LIG    1        8.595   1.593  -0.618  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        7.856   0.278  -0.812  0.00  0.00    -0.002 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   6  21
ATOM     21  C   LIG    1       -3.741   0.788   2.276  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.594   1.172   1.152  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1       -5.559   0.267   0.612  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -6.364   0.674  -0.459  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -7.324  -0.178  -1.021  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -7.492  -1.462  -0.513  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.703  -1.888   0.551  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.197   2.029  -1.005  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1       -6.890   2.450  -1.924  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1       -5.229   2.795  -0.419  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1       -5.099   3.723  -0.791  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1       -5.745  -1.032   1.110  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1       -4.423   2.445   0.625  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1       -3.595   3.254   1.043  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 6