REMARK  Name = BDB026771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.634   0.461   2.962  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        0.569   0.572   1.735  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.118  -0.319   0.887  0.00  0.00    -0.258 N 
ATOM      4  C   LIG    1       -0.087  -0.062  -0.570  0.00  0.00    +0.145 C 
ATOM      5  C   LIG    1        0.022   1.458  -0.918  0.00  0.00    +0.174 C 
ATOM      6  O   LIG    1        1.224   1.986  -0.349  0.00  0.00    -0.357 OA
ATOM      7  C   LIG    1        1.318   1.750   1.048  0.00  0.00    +0.209 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -1.202  -0.694  -1.409  0.00  0.00    -0.024 A 
ATOM      9  C   LIG    1       -2.529  -0.797  -0.960  0.00  0.00    +0.007 A 
ATOM     10  C   LIG    1       -3.518  -1.359  -1.772  0.00  0.00    +0.020 A 
ATOM     11  C   LIG    1       -3.193  -1.821  -3.044  0.00  0.00    +0.041 A 
ATOM     12 CL   LIG    1       -4.412  -2.509  -4.043  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -1.887  -1.725  -3.512  0.00  0.00    +0.020 A 
ATOM     14  C   LIG    1       -0.897  -1.163  -2.701  0.00  0.00    +0.007 A 
ENDBRANCH   4   8
BRANCH   5  15
ATOM     15  C   LIG    1       -1.122   2.431  -0.654  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1       -1.253   3.543  -1.511  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -2.264   4.489  -1.322  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -3.153   4.345  -0.264  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -4.398   5.507  -0.025  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -3.034   3.267   0.607  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.021   2.320   0.416  0.00  0.00    +0.007 A 
ENDBRANCH   5  15
BRANCH   3  22
ATOM     22  C   LIG    1       -0.429  -1.635   1.389  0.00  0.00    +0.055 A 
ATOM     23  C   LIG    1       -0.210  -2.800   0.650  0.00  0.00    +0.134 A 
ATOM     24  N   LIG    1       -0.491  -4.058   1.076  0.00  0.00    -0.261 NA
ATOM     25  C   LIG    1       -1.020  -4.174   2.310  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1       -1.279  -3.093   3.132  0.00  0.00    +0.021 A 
ATOM     27  C   LIG    1       -0.979  -1.814   2.662  0.00  0.00    +0.026 A 
ENDBRANCH   3  22
BRANCH   7  28
ATOM     28  C   LIG    1        2.815   1.661   1.408  0.00  0.00    +0.076 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.491   0.438   0.816  0.00  0.00    -0.044 A 
ATOM     30  C   LIG    1        3.567  -0.758   1.546  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1        4.145  -1.895   0.980  0.00  0.00    +0.038 A 
ATOM     32  C   LIG    1        4.654  -1.834  -0.311  0.00  0.00    +0.123 A 
ATOM     33  F   LIG    1        5.207  -2.925  -0.856  0.00  0.00    -0.205 F 
ATOM     34  C   LIG    1        4.594  -0.658  -1.049  0.00  0.00    +0.038 A 
ATOM     35  C   LIG    1        4.011   0.478  -0.487  0.00  0.00    +0.006 A 
ENDBRANCH  28  29
ENDBRANCH   7  28
TORSDOF 5