REMARK  Name = BDB002631
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.967  -0.285  -0.412  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -1.450   0.002  -1.768  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.550   1.257  -1.804  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.587   1.256  -0.856  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.266   0.461   0.358  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.242   0.403   0.682  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.381  -2.551   0.653  0.00  0.00    +0.045 C 
ATOM      8  C   LIG    1       -4.083  -1.277   0.270  0.00  0.00    -0.029 A 
ATOM      9  C   LIG    1       -3.363  -0.186  -0.260  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -4.065   0.983  -0.598  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -5.447   1.072  -0.422  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -6.151  -0.008   0.101  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.473  -1.175   0.448  0.00  0.00    +0.005 A 
ENDBRANCH   1   9
BRANCH   4  14
ATOM     14  C   LIG    1        1.819   0.774  -1.500  0.00  0.00    +0.121 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.004   1.010  -0.611  0.00  0.00    -0.008 A 
ATOM     16  C   LIG    1        3.826   0.014   0.013  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.813   0.680   0.742  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        5.793   0.009   1.484  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1        5.764  -1.388   1.482  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        4.793  -2.084   0.767  0.00  0.00    +0.001 A 
ATOM     21  N   LIG    1        4.603   2.028   0.569  0.00  0.00    -0.360 N 
ATOM     22  H   LIG    1        5.167   2.754   0.987  0.00  0.00    +0.165 HD
ATOM     23  C   LIG    1        3.821  -1.397   0.030  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1        3.526   2.239  -0.246  0.00  0.00    +0.088 A 
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 3