REMARK  Name = BDB013149
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.987   0.127  -0.024  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1        2.286  -0.934   0.633  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.925  -0.802   0.777  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.517  -1.896   1.483  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.542  -2.686   1.708  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.205   0.290   0.291  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.835   1.272  -0.292  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.657  -2.082   1.170  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.206   1.159  -0.430  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        7.823  -0.975   0.158  0.00  0.00    +0.172 C 
ATOM     11  N   LIG    1        6.553  -0.367  -0.153  0.00  0.00    -0.274 N 
ATOM     12  N   LIG    1        6.503   0.667  -1.011  0.00  0.00    -0.179 NA
ATOM     13  C   LIG    1        5.201   0.964  -1.066  0.00  0.00    +0.143 A 
ATOM     14  C   LIG    1        4.412   0.128  -0.240  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1        5.331  -0.724   0.337  0.00  0.00    +0.116 A 
ENDBRANCH   1  14
BRANCH   6  16
ATOM     16  N   LIG    1       -1.162   0.356   0.440  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1       -1.445   1.320   0.267  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.006  -0.517  -0.372  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.436  -0.359   0.048  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -4.260   0.648  -0.445  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.971   1.750  -1.395  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1       -5.398   2.230  -1.663  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1       -6.242   1.834  -0.559  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -5.568   0.784   0.007  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -6.112  -0.055   0.958  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -5.306  -1.075   1.462  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -3.987  -1.217   1.009  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1       -3.236  -2.202   1.524  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   6  16
TORSDOF 4