REMARK  Name = BDB028322
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.746   2.208  -0.135  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -3.013   1.345  -1.096  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.676   0.996  -2.268  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -3.047   0.194  -3.224  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.748  -0.268  -2.999  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -1.059   0.059  -1.819  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -5.052   1.468  -2.485  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -5.670   1.189  -3.506  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.595   2.230  -1.479  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.545   2.563  -1.610  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.712   0.872  -0.872  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -4.970   2.606  -0.330  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.303  -0.440  -1.574  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        0.651  -1.077  -0.375  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        1.954  -1.531  -0.170  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        2.876  -1.364  -1.193  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1        2.592  -0.752  -2.365  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        1.321  -0.306  -2.522  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  O   LIG    1        2.216  -2.178   1.012  0.00  0.00    -0.454 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.434  -1.942   1.606  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        4.179  -3.057   1.998  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        5.407  -2.878   2.636  0.00  0.00    +0.042 A 
ATOM     23  C   LIG    1        5.866  -1.590   2.890  0.00  0.00    +0.124 A 
ATOM     24  F   LIG    1        7.044  -1.420   3.505  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        5.119  -0.475   2.523  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1        3.890  -0.649   1.885  0.00  0.00    +0.049 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  27
ATOM     27  C   LIG    1       -3.066   2.661   1.154  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.053   1.550   2.109  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -4.021   1.272   2.286  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -2.707   1.894   3.006  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 5