REMARK  Name = BDB020867
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.322   0.076  -0.477  0.00  0.00    +0.041 A 
ATOM      2  C   LIG    1       -0.540   1.266  -0.608  0.00  0.00    +0.172 A 
ATOM      3  N   LIG    1        0.825   1.123  -0.652  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        1.323   2.378  -0.846  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.340   3.249  -0.852  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        1.470  -0.110  -0.542  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.764  -1.203  -0.435  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -0.837   2.549  -0.696  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.612  -1.075  -0.405  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  17
ATOM     10  C   LIG    1       -5.601   2.346  -0.681  0.00  0.00    +0.046 C 
ATOM     11  C   LIG    1       -5.070   0.956  -1.052  0.00  0.00    +0.083 C 
ATOM     12  O   LIG    1       -5.644  -0.020  -0.169  0.00  0.00    -0.364 OA
ATOM     13  C   LIG    1       -4.858  -0.464   0.944  0.00  0.00    +0.069 C 
ATOM     14  C   LIG    1       -5.632  -1.647   1.545  0.00  0.00    +0.041 C 
ATOM     15  C   LIG    1       -4.734   0.619   2.027  0.00  0.00    +0.041 C 
ATOM     16  C   LIG    1       -3.481  -0.961   0.460  0.00  0.00    +0.070 C 
ATOM     17  C   LIG    1       -2.791   0.060  -0.414  0.00  0.00    -0.034 C 
ATOM     18  C   LIG    1       -3.558   0.939  -1.085  0.00  0.00    +0.011 C 
ATOM     19  C   LIG    1       -5.593   0.594  -2.451  0.00  0.00    +0.046 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  N   LIG    1        2.844  -0.192  -0.567  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1        3.091  -1.166  -0.740  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.601   0.268   0.593  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.067   0.198   0.291  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        5.815  -0.965   0.447  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        5.403  -2.324   0.876  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1        6.782  -2.950   1.085  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1        7.754  -2.219   0.304  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1        7.164  -0.997   0.112  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1        7.826   0.105  -0.391  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        7.098   1.284  -0.551  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1        5.739   1.320  -0.214  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1        5.066   2.467  -0.391  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 4