REMARK  Name = BDB034420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.075  -1.243   0.114  0.00  0.00    +0.017 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.409  -1.331  -0.648  0.00  0.00    +0.085 C 
BRANCH   2   3
ATOM      3  N   LIG    1       -2.559  -0.512  -0.229  0.00  0.00    -0.298 NA
BRANCH   3   4
ATOM      4  C   LIG    1       -2.859  -0.571   1.214  0.00  0.00    +0.084 C 
BRANCH   4   6
ATOM      5  C   LIG    1       -4.422  -2.587   1.075  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -3.204  -1.969   1.746  0.00  0.00    +0.012 C 
ENDBRANCH   4   6
ENDBRANCH   3   4
BRANCH   3   7
ATOM      7  C   LIG    1       -2.474   0.884  -0.705  0.00  0.00    +0.123 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -3.832   1.539  -0.889  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -4.933   0.860  -1.432  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1       -6.146   1.505  -1.663  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -6.284   2.855  -1.349  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1       -5.201   3.548  -0.811  0.00  0.00    +0.018 A 
ATOM     13 BR   LIG    1       -5.379   5.383  -0.389  0.00  0.00    -0.050 Br
ATOM     14  C   LIG    1       -3.982   2.903  -0.588  0.00  0.00    +0.023 A 
BRANCH   9  15
ATOM     15  O   LIG    1       -4.871  -0.468  -1.746  0.00  0.00    -0.506 OA
ATOM     16  H   LIG    1       -4.066  -0.815  -1.303  0.00  0.00    +0.292 HD
ENDBRANCH   9  15
ENDBRANCH   7   8
ENDBRANCH   3   7
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.639   0.107   0.015  0.00  0.00    +0.020 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.065   0.051   0.570  0.00  0.00    +0.101 C 
BRANCH  18  19
ATOM     19  N   LIG    1        2.913  -0.753  -0.317  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1        2.949  -0.353  -1.251  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1        4.223  -0.923   0.203  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        5.320  -0.107  -0.179  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        6.562  -0.356   0.453  0.00  0.00    +0.074 A 
ATOM     24  C   LIG    1        7.666   0.409   0.109  0.00  0.00    +0.048 A 
ATOM     25  C   LIG    1        7.577   1.422  -0.842  0.00  0.00    +0.043 A 
ATOM     26  C   LIG    1        6.369   1.691  -1.468  0.00  0.00    +0.021 A 
ATOM     27 CL   LIG    1        8.970   2.351  -1.239  0.00  0.00    -0.083 Cl
ATOM     28  N   LIG    1        6.730  -1.303   1.389  0.00  0.00    -0.255 NA
ATOM     29  C   LIG    1        5.662  -2.045   1.741  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1        5.246   0.933  -1.139  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        4.406  -1.889   1.194  0.00  0.00    +0.043 A 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 11