REMARK  Name = BDB013012
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.050  -0.065  -0.156  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        2.304  -0.988  -0.939  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.955  -1.070  -0.698  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.495  -2.058  -1.519  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.481  -2.511  -2.261  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.299  -0.276   0.246  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.985   0.558   0.982  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.625  -1.835  -1.895  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        2.348   0.635   0.764  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  O   LIG    1        7.499  -1.864  -0.352  0.00  0.00    -0.164 OA
ATOM     11  N   LIG    1        6.739  -0.848  -0.369  0.00  0.00    -0.146 N 
ATOM     12  C   LIG    1        5.365  -0.985  -0.276  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1        4.513   0.126  -0.260  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        5.082   1.402  -0.370  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        6.462   1.555  -0.473  0.00  0.00    +0.022 A 
ATOM     16  C   LIG    1        7.273   0.424  -0.468  0.00  0.00    +0.133 A 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  N   LIG    1       -1.061  -0.379   0.430  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -1.291   0.072   1.315  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.960   0.142  -0.595  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.374  -0.212  -0.246  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.153   0.552   0.618  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -3.822   1.780   1.380  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -5.226   2.177   1.838  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.073   1.006   1.824  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -5.445   0.159   0.949  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -6.017  -0.994   0.451  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -5.257  -1.773  -0.421  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -3.954  -1.381  -0.757  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1       -3.247  -2.159  -1.590  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4