REMARK  Name = BDB026887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.445   0.082  -0.472  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.466   0.194  -1.992  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1        0.045  -0.857  -2.823  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1        0.087  -0.725  -4.213  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1        0.564   0.449  -4.790  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1        1.009   1.491  -3.980  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        0.966   1.363  -2.591  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  C   LIG    1       -0.815  -0.666   0.046  0.00  0.00    +0.186 C 
ATOM      9  O   LIG    1       -0.745  -1.857   0.374  0.00  0.00    -0.290 OA
BRANCH   8  15
ATOM     10  C   LIG    1       -7.410  -0.923   2.011  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -6.003  -0.749   1.517  0.00  0.00    -0.048 A 
ATOM     12  C   LIG    1       -5.603   0.474   0.958  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -4.273   0.605   0.536  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -3.333  -0.418   0.659  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -2.087   0.066   0.130  0.00  0.00    +0.044 A 
ATOM     16  C   LIG    1       -2.323   1.364  -0.293  0.00  0.00    +0.095 A 
ATOM     17  C   LIG    1       -3.751  -1.635   1.238  0.00  0.00    +0.011 A 
ATOM     18  N   LIG    1       -3.635   1.672  -0.046  0.00  0.00    -0.360 N 
ATOM     19  H   LIG    1       -4.079   2.554  -0.265  0.00  0.00    +0.165 HD
ATOM     20  C   LIG    1       -5.077  -1.785   1.664  0.00  0.00    +0.004 A 
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  N   LIG    1        1.692  -0.592  -0.026  0.00  0.00    -0.303 NA
ATOM     22  H   LIG    1        1.575  -1.592  -0.213  0.00  0.00    +0.123 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.950  -0.401   1.406  0.00  0.00    +0.086 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.293  -1.020   1.827  0.00  0.00    +0.050 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.492  -0.188   1.432  0.00  0.00    -0.046 A 
ATOM     26  C   LIG    1        5.128   0.634   2.376  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1        6.229   1.410   2.009  0.00  0.00    +0.038 A 
ATOM     28  C   LIG    1        6.692   1.366   0.699  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1        7.748   2.113   0.348  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        6.076   0.562  -0.251  0.00  0.00    +0.038 A 
ATOM     31  C   LIG    1        4.976  -0.215   0.115  0.00  0.00    +0.006 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 7