REMARK  Name = BDB028417
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.263  -2.417   1.158  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        0.523  -3.579   1.855  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        1.563  -3.805   2.834  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1       -0.307  -4.592   1.548  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -1.076  -4.092   0.583  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -0.784  -2.739   0.301  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.389  -1.853  -0.678  0.00  0.00    -0.011 A 
ATOM      8  C   LIG    1       -1.778  -0.551  -0.331  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.336   0.304  -1.293  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -2.538  -0.149  -2.595  0.00  0.00    +0.085 A 
ATOM     11  C   LIG    1       -3.150   0.756  -3.579  0.00  0.00    +0.275 A 
ATOM     12  N   LIG    1       -3.471   2.012  -3.122  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -3.893   2.650  -3.792  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -3.265   2.493  -1.868  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -3.373   0.424  -4.736  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.165  -1.448  -2.934  0.00  0.00    +0.137 A 
ATOM     17  F   LIG    1       -2.342  -1.926  -4.173  0.00  0.00    -0.205 F 
ATOM     18  C   LIG    1       -2.725   1.703  -0.985  0.00  0.00    +0.083 A 
ATOM     19  C   LIG    1       -1.591  -2.296  -1.988  0.00  0.00    +0.047 A 
BRANCH  18  20
ATOM     20  C   LIG    1       -2.471   2.238   0.429  0.00  0.00    +0.136 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.852   3.651   0.537  0.00  0.00    -0.325 NA
ATOM     22  H   LIG    1       -2.360   4.161  -0.201  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1       -3.832   3.728   0.248  0.00  0.00    +0.119 HD
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6   7
BRANCH   1  26
ATOM     24  C   LIG    1        2.573   0.549   0.557  0.00  0.00    +0.138 A 
ATOM     25  C   LIG    1        1.904  -0.675   0.354  0.00  0.00    +0.102 A 
ATOM     26  C   LIG    1        1.021  -1.172   1.336  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        0.821  -0.438   2.514  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        1.482   0.771   2.712  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        2.350   1.264   1.738  0.00  0.00    +0.047 A 
BRANCH  25  30
ATOM     30  C   LIG    1        2.132  -1.414  -0.860  0.00  0.00    +0.103 C 
ATOM     31  N   LIG    1        2.295  -2.025  -1.834  0.00  0.00    -0.191 NA
ENDBRANCH  25  30
BRANCH  24  32
ATOM     32  O   LIG    1        3.398   0.959  -0.457  0.00  0.00    -0.491 OA
BRANCH  32  34
ATOM     33  C   LIG    1        3.413   3.364  -0.762  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1        4.186   2.139  -0.307  0.00  0.00    +0.226 C 
ENDBRANCH  32  34
ENDBRANCH  24  32
ENDBRANCH   1  26
TORSDOF 7