REMARK  Name = BDB034451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.245  -0.374   0.798  0.00  0.00    -0.312 NA
ATOM      2  H   LIG    1       -1.415   0.623   0.924  0.00  0.00    +0.122 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.693  -0.761  -0.543  0.00  0.00    +0.120 C 
BRANCH   3   5
ATOM      4  C   LIG    1       -4.151  -1.423  -0.538  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -3.159  -0.455  -0.730  0.00  0.00    +0.011 A 
ATOM      6  C   LIG    1       -3.561   0.846  -1.081  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1       -4.911   1.172  -1.263  0.00  0.00    +0.131 A 
ATOM      8  C   LIG    1       -5.878   0.181  -1.096  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -5.497  -1.116  -0.740  0.00  0.00    +0.049 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -3.982  -2.931   1.181  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -3.808  -2.710  -0.220  0.00  0.00    -0.495 OA
ENDBRANCH   4  11
BRANCH   7  12
ATOM     12  O   LIG    1       -5.134   2.475  -1.604  0.00  0.00    -0.406 OA
BRANCH  12  13
ATOM     13  C   LIG    1       -6.476   2.887  -1.798  0.00  0.00    +0.575 C 
ATOM     14  F   LIG    1       -7.204   2.726  -0.672  0.00  0.00    -0.133 F 
ATOM     15  F   LIG    1       -6.483   4.201  -2.116  0.00  0.00    -0.133 F 
ATOM     16  F   LIG    1       -7.054   2.209  -2.812  0.00  0.00    -0.133 F 
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   3   5
ENDBRANCH   1   3
BRANCH   1  17
ATOM     17  C   LIG    1        0.185  -0.647   0.966  0.00  0.00    +0.083 C 
BRANCH  17  18
ATOM     18  C   LIG    1        0.624  -0.235   2.372  0.00  0.00    +0.034 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.084  -0.587   2.657  0.00  0.00    +0.103 C 
BRANCH  19  20
ATOM     20  N   LIG    1        2.977   0.251   1.861  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        3.411   0.971   2.431  0.00  0.00    +0.146 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.857  -0.260   0.892  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        4.878   0.573   0.338  0.00  0.00    +0.021 A 
ATOM     24  C   LIG    1        5.720   0.020  -0.659  0.00  0.00    +0.074 A 
ATOM     25  C   LIG    1        6.740   0.787  -1.203  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1        6.948   2.103  -0.802  0.00  0.00    +0.043 A 
ATOM     27  C   LIG    1        6.128   2.679   0.154  0.00  0.00    +0.021 A 
ATOM     28 CL   LIG    1        8.221   3.023  -1.504  0.00  0.00    -0.083 Cl
ATOM     29  N   LIG    1        5.578  -1.226  -1.126  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1        4.568  -1.966  -0.638  0.00  0.00    +0.113 A 
ATOM     31  C   LIG    1        5.100   1.922   0.718  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1        3.692  -1.530   0.338  0.00  0.00    +0.043 A 
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10