REMARK  Name = BDB029288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.533  -0.693  -0.894  0.00  0.00    -0.039 A 
ATOM      2  C   LIG    1       -0.380  -0.539  -0.087  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.863  -0.113  -0.584  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.952   0.166  -1.952  0.00  0.00    +0.023 A 
ATOM      5  C   LIG    1       -0.163   0.046  -2.780  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.385  -0.371  -2.254  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1        1.997   0.033   0.263  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1        2.026  -0.125   1.653  0.00  0.00    +0.251 C 
ATOM      9  O   LIG    1        1.140  -0.377   2.448  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        3.414   0.093   2.079  0.00  0.00    +0.042 A 
ATOM     11  C   LIG    1        3.947   0.036   3.354  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.311   0.288   3.493  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        6.103   0.588   2.368  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        5.546   0.644   1.077  0.00  0.00    +0.060 A 
ATOM     15  C   LIG    1        4.181   0.389   0.958  0.00  0.00    -0.006 A 
ATOM     16  C   LIG    1        3.314   0.376  -0.259  0.00  0.00    +0.150 C 
BRANCH  14  17
ATOM     17  C   LIG    1        6.381   0.965  -0.134  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1        7.687   1.214   0.148  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1        6.374  -0.046  -1.044  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1        5.920   2.062  -0.797  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
ENDBRANCH   3   7
BRANCH   1  21
ATOM     21  C   LIG    1       -2.950  -1.176  -0.266  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -2.883  -2.426   0.693  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1       -3.168  -3.317  -0.540  0.00  0.00    +0.093 C 
ATOM     24  C   LIG    1       -3.874  -2.089  -1.159  0.00  0.00    +0.030 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -4.001  -4.472  -0.299  0.00  0.00    +0.066 C 
ATOM     26  N   LIG    1       -4.665  -5.402  -0.098  0.00  0.00    -0.196 NA
ENDBRANCH  23  25
BRANCH  21  27
ATOM     27  C   LIG    1       -3.675   0.019   0.385  0.00  0.00    +0.088 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -2.495   2.901   0.196  0.00  0.00    +0.151 C 
ATOM     29  N   LIG    1       -3.486   2.326  -0.672  0.00  0.00    -0.320 N 
ATOM     30  C   LIG    1       -4.031   1.070  -0.610  0.00  0.00    +0.134 A 
ATOM     31  N   LIG    1       -4.904   0.945  -1.591  0.00  0.00    -0.135 NA
ATOM     32  N   LIG    1       -4.921   2.119  -2.304  0.00  0.00    -0.138 NA
ATOM     33  C   LIG    1       -4.066   2.938  -1.740  0.00  0.00    +0.224 A 
ENDBRANCH  27  30
ENDBRANCH  21  27
ENDBRANCH   1  21
TORSDOF 6