REMARK  Name = BDB018927
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.247   0.240   0.070  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        2.265  -0.516  -0.585  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.905  -0.223  -0.341  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        0.490   0.791   0.541  0.00  0.00    +0.038 A 
ATOM      5  N   LIG    1       -0.883   1.062   0.764  0.00  0.00    -0.298 N 
ATOM      6  C   LIG    1       -1.201   1.808   1.993  0.00  0.00    +0.111 C 
ATOM      7  C   LIG    1       -0.297   3.026   2.108  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        1.150   2.579   2.223  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.493   1.519   1.208  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        2.850   1.239   0.971  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.996   0.583   0.029  0.00  0.00    +0.072 A 
ATOM     12  C   LIG    1       -3.111  -0.015   0.650  0.00  0.00    +0.170 A 
ATOM     13  F   LIG    1       -3.150  -0.178   1.982  0.00  0.00    -0.201 F 
ATOM     14  C   LIG    1       -4.162  -0.454  -0.130  0.00  0.00    +0.107 A 
ATOM     15  N   LIG    1       -5.370  -1.080   0.220  0.00  0.00    -0.293 N 
ATOM     16  C   LIG    1       -6.114  -1.332  -0.951  0.00  0.00    +0.330 A 
ATOM     17  N   LIG    1       -5.333  -0.845  -2.023  0.00  0.00    -0.295 N 
ATOM     18  C   LIG    1       -5.700  -0.890  -3.408  0.00  0.00    +0.154 C 
ATOM     19  O   LIG    1       -7.211  -1.862  -1.025  0.00  0.00    -0.246 OA
ATOM     20  C   LIG    1       -5.770  -1.411   1.557  0.00  0.00    +0.154 C 
ATOM     21  C   LIG    1       -4.142  -0.311  -1.516  0.00  0.00    +0.072 A 
ATOM     22  C   LIG    1       -3.080   0.273  -2.171  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -2.009   0.719  -1.386  0.00  0.00    +0.028 A 
ENDBRANCH   5  11
BRANCH   1  28
ATOM     24  C   LIG    1        8.036  -0.740   0.857  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        6.781  -0.391   0.238  0.00  0.00    -0.274 N 
ATOM     26  N   LIG    1        6.748  -0.110  -1.077  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        5.455   0.135  -1.312  0.00  0.00    +0.142 A 
ATOM     28  C   LIG    1        4.666   0.036  -0.145  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.563  -0.297   0.847  0.00  0.00    +0.116 A 
ENDBRANCH   1  28
BRANCH   2  30
ATOM     30  C   LIG    1        2.603  -1.630  -1.543  0.00  0.00    +0.372 C 
ATOM     31  F   LIG    1        3.527  -2.507  -1.062  0.00  0.00    -0.204 F 
ATOM     32  F   LIG    1        3.088  -1.171  -2.731  0.00  0.00    -0.204 F 
ENDBRANCH   2  30
TORSDOF 3