REMARK  Name = BDB041968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.436  -0.269  -0.102  0.00  0.00    +0.069 A 
ATOM      2  C   LIG    1       -0.546   0.551   0.463  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -1.912   0.230   0.363  0.00  0.00    +0.002 A 
ATOM      4  C   LIG    1       -2.272  -0.942  -0.330  0.00  0.00    +0.071 A 
ATOM      5  C   LIG    1       -3.620  -1.260  -0.434  0.00  0.00    +0.028 A 
ATOM      6  C   LIG    1       -4.611  -0.450   0.127  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1       -4.254   0.706   0.810  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1       -1.355  -1.748  -0.885  0.00  0.00    -0.253 NA
ATOM      9  C   LIG    1       -2.908   1.047   0.928  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1       -0.047  -1.403  -0.758  0.00  0.00    +0.137 A 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1        5.820   0.737   0.226  0.00  0.00    -0.268 OA
ATOM     12  C   LIG    1        4.613   0.568   0.120  0.00  0.00    +0.254 A 
ATOM     13  N   LIG    1        3.702   1.093   0.984  0.00  0.00    -0.275 N 
ATOM     14  H   LIG    1        4.068   1.616   1.765  0.00  0.00    +0.173 HD
ATOM     15  C   LIG    1        2.354   0.821   1.026  0.00  0.00    +0.334 A 
ATOM     16  O   LIG    1        1.720   1.247   1.990  0.00  0.00    -0.246 OA
ATOM     17  N   LIG    1        1.851   0.036  -0.036  0.00  0.00    -0.268 N 
ATOM     18  C   LIG    1        2.733  -0.454  -0.997  0.00  0.00    +0.101 A 
ATOM     19  C   LIG    1        4.049  -0.233  -0.968  0.00  0.00    +0.088 A 
ENDBRANCH   1  17
TORSDOF 1