REMARK  Name = BDB003441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.172   1.067   0.286  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -1.138   0.526   0.202  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -1.245  -0.860  -0.028  0.00  0.00    +0.073 A 
ATOM      4  C   LIG    1       -2.505  -1.438  -0.097  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -3.674  -0.689   0.043  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -3.587   0.678   0.256  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -0.183  -1.660  -0.201  0.00  0.00    -0.247 NA
ATOM      8  C   LIG    1        1.050  -1.135  -0.177  0.00  0.00    +0.073 A 
ATOM      9  C   LIG    1        2.131  -1.980  -0.394  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        3.447  -1.513  -0.396  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        3.697  -0.167  -0.172  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        2.628   0.699   0.050  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -2.332   1.282   0.333  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        1.292   0.231   0.049  0.00  0.00    +0.022 A 
ENDROOT
BRANCH   1  15
ATOM     15  N   LIG    1        0.382   2.474   0.388  0.00  0.00    -0.357 N 
ATOM     16  H   LIG    1        0.476   2.874  -0.544  0.00  0.00    +0.142 HD
ATOM     17  H   LIG    1       -0.359   2.946   0.894  0.00  0.00    +0.142 HD
ENDBRANCH   1  15
TORSDOF 1