REMARK  Name = BDB020965
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.903   2.193  -0.343  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        0.320   1.198  -0.780  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -0.893   0.755  -0.264  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.414   1.422   0.929  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -2.938   1.528   0.895  0.00  0.00    +0.054 C 
ATOM      6  C   LIG    1       -3.577   0.218   0.513  0.00  0.00    -0.041 C 
ATOM      7  C   LIG    1       -2.863  -0.719  -0.139  0.00  0.00    -0.004 C 
ATOM      8  C   LIG    1       -1.428  -0.575  -0.550  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.999   0.008   0.856  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1       -5.941   1.029   0.648  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1       -7.284   0.839   0.984  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -7.689  -0.370   1.534  0.00  0.00    +0.123 A 
ATOM     13  F   LIG    1       -8.976  -0.551   1.857  0.00  0.00    -0.205 F 
ATOM     14  C   LIG    1       -6.777  -1.393   1.756  0.00  0.00    +0.039 A 
ATOM     15  C   LIG    1       -5.434  -1.203   1.419  0.00  0.00    +0.011 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1        0.919   0.393  -1.926  0.00  0.00    +0.103 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.225   0.994  -2.441  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.382   0.628  -1.541  0.00  0.00    +0.111 A 
ATOM     19  N   LIG    1        3.490   1.335  -0.375  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        2.779   2.023  -0.131  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1        4.457   1.095   0.567  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        4.507   1.695   1.634  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.431   0.047   0.217  0.00  0.00    +0.065 A 
ATOM     24  C   LIG    1        5.252  -0.618  -1.000  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1        6.161  -1.618  -1.352  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1        7.224  -1.945  -0.504  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        7.388  -1.273   0.708  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        6.489  -0.272   1.074  0.00  0.00    +0.015 A 
ATOM     29  N   LIG    1        4.195  -0.321  -1.877  0.00  0.00    -0.234 NA
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4