REMARK  Name = BDB040370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.031   1.685  -1.261  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.467   1.704  -1.113  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.082   2.458  -0.117  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -2.477   2.446   0.031  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.096   3.407   1.337  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -3.316   1.680  -0.816  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -2.669   0.898  -1.795  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -3.494  -0.169  -2.877  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.272   0.915  -1.937  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -4.830   1.726  -0.602  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -5.691   1.688  -1.857  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -5.604   2.538  -2.742  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -6.580   0.647  -1.975  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.134   0.644  -2.821  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -6.593  -0.527  -1.267  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.301  -1.468  -1.614  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -5.643  -0.624  -0.099  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.330   0.748   0.470  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        1.933  -0.610  -1.024  0.00  0.00    +0.225 C 
ATOM     20  N   LIG    1        1.600   0.613  -0.485  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        1.799   0.765   0.502  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        1.794  -0.855  -2.222  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        2.819  -2.951  -0.760  0.00  0.00    +0.027 C 
ATOM     24  C   LIG    1        2.443  -1.656  -0.006  0.00  0.00    +0.083 C 
ATOM     25  C   LIG    1        1.278  -2.018   0.944  0.00  0.00    +0.027 C 
BRANCH  24  26
ATOM     26  C   LIG    1        3.611  -1.062   0.792  0.00  0.00    +0.056 A 
ATOM     27  N   LIG    1        3.280  -0.188   1.786  0.00  0.00    -0.258 NA
ATOM     28  C   LIG    1        4.278   0.369   2.513  0.00  0.00    +0.120 A 
ATOM     29  C   LIG    1        5.624   0.130   2.293  0.00  0.00    +0.036 A 
ATOM     30  C   LIG    1        5.954  -0.737   1.252  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1        4.946  -1.336   0.496  0.00  0.00    +0.025 A 
BRANCH  29  32
ATOM     32  C   LIG    1        6.670   0.818   3.112  0.00  0.00    +0.373 C 
ATOM     33  F   LIG    1        7.761   0.035   3.345  0.00  0.00    -0.204 F 
ATOM     34  F   LIG    1        6.222   1.202   4.340  0.00  0.00    -0.204 F 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6