REMARK  Name = BDB059900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.856  -1.432  -0.301  0.00  0.00    +0.174 A 
ATOM      2  C   LIG    1        1.238  -0.202  -0.115  0.00  0.00    +0.092 A 
ATOM      3  N   LIG    1       -0.100  -0.490   0.088  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -1.080   0.488   0.367  0.00  0.00    +0.202 A 
ATOM      5  N   LIG    1       -0.723   1.742   0.438  0.00  0.00    -0.223 NA
ATOM      6  C   LIG    1        0.598   2.053   0.191  0.00  0.00    +0.125 A 
ATOM      7  C   LIG    1       -0.241  -1.847  -0.024  0.00  0.00    +0.207 A 
ATOM      8  C   LIG    1        1.591   1.179  -0.085  0.00  0.00    +0.027 A 
ATOM      9  N   LIG    1        0.899  -2.441  -0.288  0.00  0.00    -0.228 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        2.912   1.749  -0.413  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1        3.677   2.400   0.565  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        4.923   2.940   0.242  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.414   2.834  -1.058  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1        4.661   2.189  -2.038  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        3.413   1.650  -1.719  0.00  0.00    +0.008 A 
ENDBRANCH   8  10
BRANCH   1  16
ATOM     16  C   LIG    1        3.276  -1.728  -0.493  0.00  0.00    +0.360 C 
ATOM     17  O   LIG    1        3.688  -2.612  -1.236  0.00  0.00    -0.243 OA
BRANCH  16  18
ATOM     18  O   LIG    1        4.082  -0.945   0.283  0.00  0.00    -0.460 OA
BRANCH  18  20
ATOM     19  C   LIG    1        5.938  -2.275   1.085  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        5.491  -1.167   0.150  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   4  21
ATOM     21  N   LIG    1       -2.385   0.084   0.558  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.672  -0.750   0.053  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.466   1.060   0.590  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.786   0.382   0.869  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1       -5.282  -0.662   0.062  0.00  0.00    +0.127 A 
ATOM     26  C   LIG    1       -6.526  -1.238   0.354  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -7.286  -0.778   1.432  0.00  0.00    +0.006 A 
ATOM     28  C   LIG    1       -6.808   0.260   2.224  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -5.573   0.830   1.937  0.00  0.00    +0.132 A 
ATOM     30  F   LIG    1       -5.145   1.839   2.710  0.00  0.00    -0.205 F 
BRANCH  25  31
ATOM     31  O   LIG    1       -4.468  -1.059  -0.970  0.00  0.00    -0.495 OA
ATOM     32  C   LIG    1       -5.001  -1.995  -1.901  0.00  0.00    +0.277 C 
ENDBRANCH  25  31
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 8