REMARK  Name = BDB049818
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.768   0.028   0.655  0.00  0.00    +0.280 C 
ATOM      2  N   LIG    1        1.227   0.662  -0.455  0.00  0.00    -0.305 N 
ATOM      3  H   LIG    1        1.878   1.077  -1.107  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.127  -0.112   1.693  0.00  0.00    -0.267 OA
ENDROOT
BRANCH   1  10
ATOM      5  C   LIG    1        6.407  -1.391   1.483  0.00  0.00    +0.064 A 
ATOM      6  C   LIG    1        5.170  -1.052   0.901  0.00  0.00    +0.102 A 
ATOM      7  C   LIG    1        5.020  -1.158  -0.479  0.00  0.00    +0.067 A 
ATOM      8  N   LIG    1        3.727  -0.770  -0.716  0.00  0.00    -0.334 N 
ATOM      9  H   LIG    1        3.262  -0.775  -1.612  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1        3.139  -0.429   0.480  0.00  0.00    +0.195 A 
ATOM     11  C   LIG    1        6.037  -1.590  -1.334  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1        7.261  -1.920  -0.743  0.00  0.00    +0.003 A 
ATOM     13  N   LIG    1        3.993  -0.607   1.473  0.00  0.00    -0.223 NA
ATOM     14  C   LIG    1        7.446  -1.824   0.639  0.00  0.00    +0.015 A 
BRANCH   5  18
ATOM     15  N   LIG    1        5.601  -0.904   3.728  0.00  0.00    -0.325 N 
ATOM     16  H   LIG    1        4.689  -0.689   3.330  0.00  0.00    +0.145 HD
ATOM     17  H   LIG    1        5.725  -0.861   4.728  0.00  0.00    +0.145 HD
ATOM     18  C   LIG    1        6.642  -1.308   2.944  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1        7.729  -1.593   3.433  0.00  0.00    -0.270 OA
ENDBRANCH   5  18
ENDBRANCH   1  10
BRANCH   2  20
ATOM     20  C   LIG    1       -0.107   1.259  -0.393  0.00  0.00    +0.087 C 
ATOM     21  C   LIG    1       -1.229   0.191  -0.231  0.00  0.00    +0.107 C 
ATOM     22  N   LIG    1       -2.527   0.584  -0.814  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -2.751   2.022  -0.703  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -1.747   2.768  -1.590  0.00  0.00    +0.017 C 
ATOM     25  C   LIG    1       -0.366   2.108  -1.640  0.00  0.00    +0.025 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -3.638  -0.274  -0.355  0.00  0.00    +0.057 C 
ATOM     27  C   LIG    1       -4.097  -0.033   1.099  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -5.390  -0.789   1.388  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -6.543  -0.328   0.495  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -6.086   0.381  -0.778  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -4.819  -0.238  -1.357  0.00  0.00    +0.019 C 
ENDBRANCH  22  26
ENDBRANCH   2  20
TORSDOF 4