REMARK  Name = BDB042562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.371   0.015  -1.307  0.00  0.00    +0.216 C 
ATOM      2  N   LIG    1        0.873   0.241  -0.736  0.00  0.00    -0.298 N 
ATOM      3  C   LIG    1        1.925  -0.772  -0.596  0.00  0.00    +0.126 C 
ATOM      4  C   LIG    1        3.075  -0.347   0.340  0.00  0.00    +0.124 C 
ATOM      5  N   LIG    1        3.636   0.956  -0.054  0.00  0.00    -0.327 N 
ATOM      6  C   LIG    1        2.693   1.950  -0.610  0.00  0.00    +0.124 C 
ATOM      7  C   LIG    1        1.226   1.595  -0.303  0.00  0.00    +0.126 C 
ATOM      8  O   LIG    1       -1.202   0.915  -1.427  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.923   1.335   0.296  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        5.564   2.415  -0.331  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        6.865   2.795   0.011  0.00  0.00    +0.142 A 
ATOM     12  F   LIG    1        7.418   3.835  -0.631  0.00  0.00    -0.204 F 
ATOM     13  C   LIG    1        7.576   2.113   0.988  0.00  0.00    +0.087 A 
ATOM     14  C   LIG    1        6.969   1.033   1.626  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        5.663   0.654   1.279  0.00  0.00    +0.024 A 
BRANCH  13  16
ATOM     16  C   LIG    1        8.905   2.510   1.331  0.00  0.00    +0.102 C 
ATOM     17  N   LIG    1        9.986   2.805   1.634  0.00  0.00    -0.191 NA
ENDBRANCH  13  16
ENDBRANCH   5   9
BRANCH   1  18
ATOM     18  C   LIG    1       -0.642  -1.396  -1.813  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.060  -1.575  -2.364  0.00  0.00    +0.062 C 
BRANCH  19  27
ATOM     20  C   LIG    1       -5.783   1.417  -0.014  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -5.796   0.039   0.594  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -4.914  -0.980   0.169  0.00  0.00    -0.005 A 
ATOM     23  C   LIG    1       -4.973  -2.247   0.785  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1       -4.043  -3.313   0.339  0.00  0.00    +0.259 A 
ATOM     25  N   LIG    1       -3.164  -2.977  -0.669  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -2.553  -3.729  -0.961  0.00  0.00    +0.169 HD
ATOM     27  C   LIG    1       -3.090  -1.746  -1.272  0.00  0.00    +0.020 A 
ATOM     28  O   LIG    1       -4.027  -4.440   0.819  0.00  0.00    -0.267 OA
ATOM     29  C   LIG    1       -5.895  -2.491   1.802  0.00  0.00    +0.136 A 
ATOM     30  F   LIG    1       -5.976  -3.684   2.408  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -6.764  -1.491   2.220  0.00  0.00    +0.039 A 
ATOM     32  C   LIG    1       -3.926  -0.764  -0.900  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -6.716  -0.233   1.622  0.00  0.00    +0.007 A 
ENDBRANCH  19  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5