REMARK  Name = BDB028272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.150   1.250   0.870  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.053   0.987  -0.095  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.226   1.451  -1.395  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.234   1.248  -2.358  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.062   0.569  -2.015  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        0.134   0.077  -0.713  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.473   2.147  -1.750  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -3.665   2.576  -2.882  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -4.399   2.279  -0.744  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.267   2.755  -0.972  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -0.878   0.298   0.241  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -4.255   1.854   0.540  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.363  -0.650  -0.358  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.633  -0.117  -0.634  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        3.767  -0.860  -0.267  0.00  0.00    +0.054 A 
ATOM     16  C   LIG    1        3.560  -2.088   0.351  0.00  0.00    +0.141 A 
ATOM     17  N   LIG    1        4.784  -2.644   0.623  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        4.901  -3.541   1.072  0.00  0.00    +0.167 HD
ATOM     19  C   LIG    1        5.783  -1.804   0.197  0.00  0.00    +0.123 A 
ATOM     20  N   LIG    1        2.382  -2.663   0.647  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        5.166  -0.707  -0.350  0.00  0.00    +0.150 A 
ATOM     22  F   LIG    1        5.802   0.344  -0.880  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        1.321  -1.903   0.269  0.00  0.00    +0.121 A 
ENDBRANCH   6  13
BRANCH   1  24
ATOM     24  C   LIG    1       -3.011   0.799   2.322  0.00  0.00    +0.136 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.239  -0.646   2.401  0.00  0.00    -0.325 NA
ATOM     26  H   LIG    1       -3.253  -0.922   3.383  0.00  0.00    +0.119 HD
ATOM     27  H   LIG    1       -4.182  -0.838   2.054  0.00  0.00    +0.119 HD
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 3