REMARK  Name = BDB062949
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.245  -1.024  -0.425  0.00  0.00    +0.188 C 
ATOM      2  N   LIG    1       -1.242  -1.799   0.345  0.00  0.00    -0.285 N 
ATOM      3  C   LIG    1       -2.203  -1.281   1.220  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -2.928  -2.058   1.860  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -1.047  -3.256   0.298  0.00  0.00    +0.136 C 
ATOM      6  C   LIG    1       -0.859  -3.743  -1.140  0.00  0.00    +0.179 C 
ATOM      7  O   LIG    1        0.195  -3.026  -1.799  0.00  0.00    -0.376 OA
ATOM      8  C   LIG    1       -0.090  -1.622  -1.836  0.00  0.00    +0.191 C 
ENDROOT
BRANCH   3   9
ATOM      9  C   LIG    1       -2.408   0.298   1.336  0.00  0.00    +0.083 C 
ATOM     10  C   LIG    1       -1.250   1.106   2.018  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -1.949   0.895   3.375  0.00  0.00    +0.251 C 
ATOM     12  F   LIG    1       -1.893   1.946   4.222  0.00  0.00    -0.206 F 
ATOM     13  F   LIG    1       -1.541  -0.188   4.071  0.00  0.00    -0.206 F 
ATOM     14  C   LIG    1       -3.264   0.737   2.597  0.00  0.00    +0.096 C 
BRANCH   9  15
ATOM     15  C   LIG    1       -3.057   0.829  -0.057  0.00  0.00    -0.032 A 
ATOM     16  C   LIG    1       -2.532   1.911  -0.796  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1       -3.112   2.346  -1.994  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1       -4.247   1.711  -2.484  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -4.958   2.241  -3.956  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -4.806   0.650  -1.784  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.219   0.224  -0.589  0.00  0.00    +0.006 A 
ENDBRANCH   9  15
ENDBRANCH   3   9
BRANCH   1  23
ATOM     22  O   LIG    1        1.345  -1.498   1.361  0.00  0.00    -0.273 OA
ATOM     23  C   LIG    1        1.128  -0.927   0.295  0.00  0.00    +0.241 C 
ATOM     24  N   LIG    1        2.016  -0.082  -0.338  0.00  0.00    -0.269 N 
ATOM     25  H   LIG    1        1.748   0.403  -1.184  0.00  0.00    +0.156 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.319   0.259   0.040  0.00  0.00    +0.126 A 
ATOM     27  N   LIG    1        3.867   1.161  -0.803  0.00  0.00    -0.229 NA
ATOM     28  C   LIG    1        5.131   1.540  -0.499  0.00  0.00    +0.110 A 
ATOM     29  C   LIG    1        5.834   1.054   0.592  0.00  0.00    +0.084 A 
ATOM     30  N   LIG    1        7.051   1.677   0.543  0.00  0.00    -0.275 N 
ATOM     31  H   LIG    1        7.830   1.567   1.183  0.00  0.00    +0.189 HD
ATOM     32  N   LIG    1        7.191   2.530  -0.492  0.00  0.00    -0.180 NA
ATOM     33  C   LIG    1        5.274   0.125   1.461  0.00  0.00    +0.032 A 
ATOM     34  C   LIG    1        6.015   2.440  -1.125  0.00  0.00    +0.162 A 
ATOM     35  C   LIG    1        3.970  -0.272   1.152  0.00  0.00    +0.046 A 
ENDBRANCH  24  26
ENDBRANCH   1  23
TORSDOF 4