REMARK  Name = BDB048249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.793   0.235   0.015  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        4.335  -0.123   0.042  0.00  0.00    -0.048 A 
ATOM      3  C   LIG    1        3.366   0.895   0.089  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        2.009   0.544   0.082  0.00  0.00    +0.091 A 
ATOM      5  C   LIG    1        1.654  -0.794   0.018  0.00  0.00    +0.068 A 
ATOM      6  N   LIG    1        0.283  -0.772   0.039  0.00  0.00    -0.323 N 
ATOM      7  H   LIG    1       -0.299  -1.588   0.104  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1       -0.149   0.532   0.087  0.00  0.00    +0.218 A 
ATOM      9  C   LIG    1        2.582  -1.834  -0.037  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        0.893   1.338   0.138  0.00  0.00    -0.212 NA
ATOM     11  C   LIG    1        3.934  -1.466  -0.032  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   8  12
ATOM     12  N   LIG    1       -1.472   0.904   0.127  0.00  0.00    -0.230 N 
ATOM     13  C   LIG    1       -2.610   0.137  -0.191  0.00  0.00    +0.078 A 
ATOM     14  C   LIG    1       -3.728   0.939   0.069  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1       -5.026   0.520  -0.128  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -5.204  -0.768  -0.630  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.095  -1.580  -0.932  0.00  0.00    +0.002 A 
ATOM     18  N   LIG    1       -3.296   2.180   0.512  0.00  0.00    -0.306 N 
ATOM     19  H   LIG    1       -3.859   2.976   0.764  0.00  0.00    +0.170 HD
ATOM     20  C   LIG    1       -2.783  -1.127  -0.723  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -1.887   2.199   0.545  0.00  0.00    +0.334 A 
ATOM     22  O   LIG    1       -1.249   3.175   0.905  0.00  0.00    -0.246 OA
ENDBRANCH   8  12
TORSDOF 1