REMARK  Name = BDB001648
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.762  -2.019   0.295  0.00  0.00    -0.265 OA
ATOM      2  C   LIG    1        0.301  -0.883   0.170  0.00  0.00    +0.280 C 
ATOM      3  N   LIG    1        1.216   0.182   0.095  0.00  0.00    -0.176 N 
ATOM      4  C   LIG    1        2.601   0.153   0.057  0.00  0.00    +0.098 A 
ATOM      5  C   LIG    1        2.954   1.497   0.016  0.00  0.00    +0.113 A 
ATOM      6  C   LIG    1        4.307   1.861  -0.036  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        5.274   0.848  -0.045  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        4.901  -0.496  -0.003  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        1.831   2.271   0.037  0.00  0.00    -0.129 NA
ATOM     10  C   LIG    1        3.554  -0.875   0.049  0.00  0.00    +0.030 A 
ATOM     11  N   LIG    1        0.778   1.469   0.096  0.00  0.00    -0.057 NA
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -1.182  -0.747   0.128  0.00  0.00    +0.045 A 
ATOM     13  C   LIG    1       -1.819   0.205  -0.679  0.00  0.00    +0.063 A 
ATOM     14  C   LIG    1       -3.199   0.232  -0.666  0.00  0.00    +0.167 A 
ATOM     15  O   LIG    1       -3.979   1.085  -1.383  0.00  0.00    -0.453 OA
ATOM     16  C   LIG    1       -5.297   0.660  -0.975  0.00  0.00    +0.466 C 
ATOM     17  O   LIG    1       -5.279  -0.442  -0.043  0.00  0.00    -0.453 OA
ATOM     18  C   LIG    1       -3.942  -0.641   0.095  0.00  0.00    +0.166 A 
ATOM     19  C   LIG    1       -3.348  -1.599   0.885  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -1.950  -1.655   0.895  0.00  0.00    +0.017 A 
ENDBRANCH   2  12
TORSDOF 1