REMARK  Name = BDB042667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.853  -0.266   2.121  0.00  0.00    +0.021 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.247  -0.828   2.429  0.00  0.00    +0.054 C 
BRANCH   2  11
ATOM      3  O   LIG    1       -4.878   2.708   0.681  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1       -4.621   1.510   0.647  0.00  0.00    +0.258 A 
ATOM      5  C   LIG    1       -5.330   0.593  -0.265  0.00  0.00    +0.065 A 
ATOM      6  C   LIG    1       -4.995  -0.756  -0.252  0.00  0.00    +0.078 A 
ATOM      7  N   LIG    1       -5.585  -1.676  -1.053  0.00  0.00    -0.255 NA
ATOM      8  C   LIG    1       -6.545  -1.221  -1.891  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -6.943   0.107  -1.970  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -3.961  -1.248   0.652  0.00  0.00    +0.049 A 
ATOM     11  C   LIG    1       -3.323  -0.393   1.466  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1       -6.321   1.035  -1.139  0.00  0.00    +0.017 A 
ATOM     13  N   LIG    1       -3.658   0.944   1.456  0.00  0.00    -0.326 N 
ATOM     14  H   LIG    1       -3.181   1.592   2.075  0.00  0.00    +0.169 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  C   LIG    1       -0.310  -0.728   0.760  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1        1.024  -0.175   0.477  0.00  0.00    -0.298 NA
ATOM     17  C   LIG    1        2.087  -0.841   1.246  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1        3.446  -0.145   1.035  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        3.718   0.176  -0.415  0.00  0.00    -0.042 C 
ATOM     20  C   LIG    1        2.728   0.087  -1.322  0.00  0.00    -0.008 C 
ATOM     21  C   LIG    1        1.314  -0.277  -0.965  0.00  0.00    +0.112 C 
BRANCH  19  22
ATOM     22  C   LIG    1        5.082   0.562  -0.815  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        6.185  -0.216  -0.467  0.00  0.00    +0.067 A 
ATOM     24  C   LIG    1        7.442   0.202  -0.867  0.00  0.00    +0.214 A 
ATOM     25  F   LIG    1        8.499  -0.554  -0.535  0.00  0.00    -0.184 F 
ATOM     26  N   LIG    1        7.681   1.324  -1.574  0.00  0.00    -0.228 NA
ATOM     27  C   LIG    1        6.603   2.065  -1.898  0.00  0.00    +0.114 A 
ATOM     28  C   LIG    1        5.303   1.731  -1.548  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 5