REMARK  Name = BDB056226
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.925  -2.283  -0.229  0.00  0.00    -0.293 N 
ATOM      2  C   LIG    1       -0.965  -1.865  -1.145  0.00  0.00    +0.230 C 
ATOM      3  O   LIG    1       -1.299  -1.417  -2.250  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   4
ATOM      4  C   LIG    1       -1.655  -2.601   1.179  0.00  0.00    +0.108 C 
BRANCH   4   6
ATOM      5  C   LIG    1       -1.053  -5.049   0.818  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -1.955  -4.059   1.540  0.00  0.00    +0.016 C 
ENDBRANCH   4   6
ENDBRANCH   1   4
BRANCH   2   7
ATOM      7  C   LIG    1        0.522  -1.933  -0.771  0.00  0.00    +0.180 C 
BRANCH   7   8
ATOM      8  N   LIG    1        0.910  -0.833   0.135  0.00  0.00    -0.294 NA
ATOM      9  C   LIG    1        2.276  -0.999   0.645  0.00  0.00    +0.085 C 
ATOM     10  C   LIG    1        3.364  -0.770  -0.408  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1        3.222   0.581  -1.117  0.00  0.00    +0.063 C 
ATOM     12  C   LIG    1        1.767   0.843  -1.539  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1        0.748   0.508  -0.447  0.00  0.00    +0.085 C 
BRANCH  11  14
ATOM     14  C   LIG    1        3.773   1.713  -0.245  0.00  0.00    +0.166 C 
ATOM     15  O   LIG    1        3.037   2.416   0.445  0.00  0.00    -0.292 OA
BRANCH  14  16
ATOM     16  C   LIG    1        5.250   1.978  -0.203  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        5.705   3.047   0.587  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        7.067   3.345   0.668  0.00  0.00    +0.039 A 
ATOM     19  C   LIG    1        7.978   2.574  -0.041  0.00  0.00    +0.123 A 
ATOM     20  F   LIG    1        9.284   2.855   0.035  0.00  0.00    -0.205 F 
ATOM     21  C   LIG    1        7.550   1.511  -0.829  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        6.187   1.210  -0.912  0.00  0.00    +0.014 A 
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   7   8
ENDBRANCH   2   7
BRANCH   1  23
ATOM     23  C   LIG    1       -3.333  -2.154  -0.622  0.00  0.00    +0.182 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -3.814  -0.728  -0.384  0.00  0.00    +0.127 A 
ATOM     25  N   LIG    1       -3.341   0.212  -1.260  0.00  0.00    -0.309 N 
ATOM     26  H   LIG    1       -2.651  -0.056  -1.958  0.00  0.00    +0.170 HD
ATOM     27  C   LIG    1       -3.609   1.540  -1.124  0.00  0.00    +0.257 A 
ATOM     28  O   LIG    1       -3.098   2.401  -1.830  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -4.554   1.870  -0.043  0.00  0.00    +0.064 A 
ATOM     30  C   LIG    1       -4.968   3.295   0.121  0.00  0.00    +0.202 C 
ATOM     31  O   LIG    1       -6.090   3.436   1.010  0.00  0.00    -0.375 OA
ATOM     32  C   LIG    1       -5.919   2.670   2.204  0.00  0.00    +0.166 C 
ATOM     33  C   LIG    1       -5.925   1.178   1.876  0.00  0.00    +0.084 C 
ATOM     34  C   LIG    1       -4.986   0.868   0.739  0.00  0.00    +0.056 A 
ATOM     35  N   LIG    1       -4.611  -0.448   0.600  0.00  0.00    -0.237 NA
ENDBRANCH  23  24
ENDBRANCH   1  23
TORSDOF 8