REMARK  Name = BDB040527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.272  -1.615  -0.880  0.00  0.00    +0.139 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.214  -1.409  -0.786  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1       -1.859  -1.438   0.452  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -3.244  -1.227   0.561  0.00  0.00    +0.047 A 
ATOM      5 CL   LIG    1       -3.854  -1.254   2.178  0.00  0.00    -0.083 Cl
ATOM      6  C   LIG    1       -4.041  -0.985  -0.578  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -3.360  -0.926  -1.819  0.00  0.00    +0.047 A 
ATOM      8 CL   LIG    1       -4.169  -0.560  -3.310  0.00  0.00    -0.083 Cl
ATOM      9  C   LIG    1       -1.976  -1.136  -1.920  0.00  0.00    +0.025 A 
BRANCH   6  10
ATOM     10  C   LIG    1       -5.555  -0.765  -0.547  0.00  0.00    +0.108 C 
ATOM     11  C   LIG    1       -6.340  -1.613   0.443  0.00  0.00    +0.227 C 
ATOM     12  O   LIG    1       -6.324  -2.843   0.415  0.00  0.00    -0.275 OA
ATOM     13  N   LIG    1       -7.072  -0.947   1.395  0.00  0.00    -0.256 N 
ATOM     14  H   LIG    1       -7.577  -1.536   2.044  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1       -6.942   0.363   1.781  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -7.479   0.778   2.805  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -6.048   1.234   0.934  0.00  0.00    +0.097 C 
ATOM     18  C   LIG    1       -5.960   0.714  -0.489  0.00  0.00    +0.027 C 
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  20
ATOM     19  C   LIG    1        2.353  -0.401  -0.411  0.00  0.00    +0.226 C 
ATOM     20  N   LIG    1        0.976  -0.393  -0.567  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        0.494   0.482  -0.715  0.00  0.00    +0.149 HD
ATOM     22  O   LIG    1        2.982  -1.455  -0.474  0.00  0.00    -0.275 OA
BRANCH  19  24
ATOM     23  C   LIG    1        2.341   1.664   1.042  0.00  0.00    +0.029 C 
ATOM     24  C   LIG    1        2.998   0.981  -0.176  0.00  0.00    +0.101 C 
ATOM     25  C   LIG    1        2.764   1.869  -1.415  0.00  0.00    +0.029 C 
BRANCH  24  26
ATOM     26  C   LIG    1        4.494   0.801   0.076  0.00  0.00    +0.143 A 
ATOM     27  N   LIG    1        4.907   0.562   1.340  0.00  0.00    -0.239 NA
ATOM     28  C   LIG    1        6.227   0.362   1.529  0.00  0.00    +0.126 A 
ATOM     29  C   LIG    1        7.155   0.398   0.517  0.00  0.00    +0.091 A 
ATOM     30  C   LIG    1        6.648   0.678  -0.729  0.00  0.00    +0.126 A 
ATOM     31  N   LIG    1        5.339   0.886  -0.975  0.00  0.00    -0.239 NA
BRANCH  29  32
ATOM     32  C   LIG    1        8.603   0.196   0.759  0.00  0.00    +0.420 C 
ATOM     33  F   LIG    1        9.249   1.361   1.038  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        8.862  -0.632   1.808  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        9.255  -0.343  -0.308  0.00  0.00    -0.166 F 
ENDBRANCH  29  32
ENDBRANCH  24  26
ENDBRANCH  19  24
ENDBRANCH   1  20
TORSDOF 6