REMARK  Name = BDB058149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.478   2.301  -1.205  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -5.172   1.256  -0.377  0.00  0.00    -0.022 A 
ATOM      3  C   LIG    1       -4.428   0.302   0.342  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -5.114  -0.654   1.104  0.00  0.00    +0.068 A 
ATOM      5  C   LIG    1       -4.310  -1.641   1.840  0.00  0.00    +0.260 A 
ATOM      6  N   LIG    1       -2.951  -1.503   1.732  0.00  0.00    -0.306 N 
ATOM      7  H   LIG    1       -2.415  -2.218   2.201  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -2.345  -0.538   0.961  0.00  0.00    +0.141 A 
ATOM      9  O   LIG    1       -4.821  -2.536   2.504  0.00  0.00    -0.267 OA
ATOM     10  C   LIG    1       -6.508  -0.685   1.165  0.00  0.00    +0.053 A 
ATOM     11  C   LIG    1       -7.223   0.263   0.451  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -8.561   0.251   0.497  0.00  0.00    -0.205 F 
ATOM     13  N   LIG    1       -3.022   0.330   0.279  0.00  0.00    -0.229 NA
ATOM     14  C   LIG    1       -6.574   1.228  -0.314  0.00  0.00    +0.043 A 
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1       -0.859  -0.542   0.923  0.00  0.00    +0.017 A 
ATOM     16  C   LIG    1       -0.214  -0.057  -0.218  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        1.184  -0.046  -0.294  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        1.966  -0.510   0.770  0.00  0.00    -0.044 A 
ATOM     19  C   LIG    1        1.305  -0.979   1.919  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -0.092  -0.994   2.000  0.00  0.00    +0.012 A 
BRANCH  18  21
ATOM     21  C   LIG    1        3.491  -0.517   0.742  0.00  0.00    +0.021 C 
ATOM     22  C   LIG    1        4.113   0.888   0.700  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1        4.327   1.435  -0.712  0.00  0.00    +0.084 C 
ATOM     24  N   LIG    1        5.000   0.506  -1.625  0.00  0.00    -0.305 NA
ATOM     25  C   LIG    1        6.423   0.360  -1.324  0.00  0.00    +0.104 C 
ATOM     26  C   LIG    1        4.307  -0.783  -1.687  0.00  0.00    +0.084 C 
ATOM     27  C   LIG    1        4.086  -1.449  -0.327  0.00  0.00    +0.023 C 
ENDBRANCH  18  21
ENDBRANCH   8  15
TORSDOF 2