REMARK  Name = BDB013120
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.815  -0.090   0.776  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        2.027   0.608   1.728  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.666   0.446   1.649  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.149   1.233   2.637  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.125   1.816   3.298  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.037  -0.374   0.700  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.773  -1.011  -0.172  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.313   1.421   2.723  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.144  -0.861  -0.106  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.330   1.336  -1.419  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        5.008   0.594  -0.301  0.00  0.00    -0.040 A 
ATOM     12  C   LIG    1        4.287  -0.053   0.719  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        5.019  -0.693   1.721  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        6.371  -0.765   1.759  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        7.033  -0.151   0.760  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        6.408   0.529  -0.275  0.00  0.00    +0.023 A 
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1       -1.338  -0.477   0.711  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.814  -0.298   1.589  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -2.018  -1.476  -0.097  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.493  -1.200  -0.092  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.052  -0.134  -0.791  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -3.400   0.926  -1.599  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -4.638   1.521  -2.269  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -5.803   1.215  -1.467  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.417   0.118  -0.742  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.284  -0.662  -0.004  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.749  -1.741   0.699  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -4.372  -1.998   0.651  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.891  -3.031   1.358  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4