REMARK  Name = BDB012285
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.069  -0.948  -1.183  0.00  0.00    -0.214 N 
ATOM      2  C   LIG    1       -1.331  -1.292  -0.690  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1       -1.840  -2.230  -1.568  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -0.845  -2.417  -2.533  0.00  0.00    +0.135 A 
ATOM      5  N   LIG    1        0.227  -1.660  -2.314  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.968  -0.754   0.506  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -1.609  -1.224   1.774  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -2.244  -0.713   2.900  0.00  0.00    +0.124 A 
ATOM      9  F   LIG    1       -1.893  -1.161   4.114  0.00  0.00    -0.205 F 
ATOM     10  C   LIG    1       -3.240   0.252   2.791  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -3.610   0.717   1.531  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -2.978   0.213   0.391  0.00  0.00    +0.010 A 
ENDBRANCH   2   6
BRANCH   1  15
ATOM     13  C   LIG    1        2.991   1.116  -0.815  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1        2.085   0.181  -1.321  0.00  0.00    +0.063 A 
ATOM     15  C   LIG    1        0.868   0.012  -0.667  0.00  0.00    +0.155 A 
ATOM     16  N   LIG    1        0.543   0.730   0.440  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1        1.438   1.625   0.907  0.00  0.00    +0.114 A 
ATOM     18  C   LIG    1        2.665   1.854   0.321  0.00  0.00    +0.035 A 
BRANCH  13  20
ATOM     19  O   LIG    1        4.647   0.691  -2.508  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1        4.284   1.291  -1.515  0.00  0.00    +0.337 C 
BRANCH  20  21
ATOM     21  O   LIG    1        5.067   2.217  -0.933  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1        5.873   2.225  -1.492  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   1  15
TORSDOF 4