REMARK  Name = BDB034411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.644   0.432   1.868  0.00  0.00    +0.034 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.746   1.005   2.153  0.00  0.00    +0.083 C 
BRANCH   2   3
ATOM      3  N   LIG    1       -1.541   1.070   0.929  0.00  0.00    -0.312 NA
ATOM      4  H   LIG    1       -1.683   0.125   0.568  0.00  0.00    +0.122 HD
BRANCH   3   5
ATOM      5  C   LIG    1       -2.865   1.639   1.192  0.00  0.00    +0.120 C 
BRANCH   5   7
ATOM      6  C   LIG    1       -4.565   0.610  -0.414  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -3.691   1.663  -0.075  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1       -3.548   2.749  -0.957  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.280   2.792  -2.135  0.00  0.00    +0.124 A 
ATOM     10  F   LIG    1       -4.140   3.834  -2.964  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -5.154   1.767  -2.466  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1       -5.295   0.673  -1.608  0.00  0.00    +0.049 A 
BRANCH   6  14
ATOM     13  C   LIG    1       -5.503  -1.506   0.175  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -4.624  -0.429   0.478  0.00  0.00    -0.495 OA
ENDBRANCH   6  14
ENDBRANCH   5   7
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1        1.483   1.347   0.973  0.00  0.00    +0.103 C 
BRANCH  15  16
ATOM     16  N   LIG    1        2.825   0.798   0.768  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1        3.333   0.706   1.643  0.00  0.00    +0.146 HD
BRANCH  16  18
ATOM     18  C   LIG    1        3.072  -0.277  -0.104  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        4.353  -0.906  -0.125  0.00  0.00    +0.021 A 
ATOM     20  C   LIG    1        4.556  -1.971  -1.039  0.00  0.00    +0.074 A 
ATOM     21  C   LIG    1        5.779  -2.624  -1.070  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        6.823  -2.247  -0.232  0.00  0.00    +0.043 A 
ATOM     23  C   LIG    1        6.662  -1.195   0.656  0.00  0.00    +0.021 A 
ATOM     24 CL   LIG    1        8.326  -3.080  -0.305  0.00  0.00    -0.083 Cl
ATOM     25  N   LIG    1        3.616  -2.385  -1.898  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        2.442  -1.731  -1.904  0.00  0.00    +0.113 A 
ATOM     27  C   LIG    1        5.437  -0.528   0.707  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        2.134  -0.686  -1.054  0.00  0.00    +0.043 A 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 8