REMARK  Name = BDB025349
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.247   0.778   2.076  0.00  0.00    +0.281 C 
ATOM      2  N   LIG    1       -0.865   0.643   1.211  0.00  0.00    -0.182 N 
ATOM      3  C   LIG    1       -1.218  -0.397   0.329  0.00  0.00    +0.127 A 
ATOM      4  C   LIG    1       -2.372   0.014  -0.296  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -3.235  -0.611  -1.330  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1       -4.605   0.107  -1.388  0.00  0.00    +0.086 C 
ATOM      7  N   LIG    1       -4.475   1.578  -1.382  0.00  0.00    -0.310 NA
ATOM      8  H   LIG    1       -5.395   2.002  -1.488  0.00  0.00    +0.122 HD
ATOM      9  C   LIG    1       -3.890   2.072  -0.110  0.00  0.00    +0.138 C 
ATOM     10  C   LIG    1       -2.676   1.274   0.254  0.00  0.00    +0.082 A 
ATOM     11  N   LIG    1       -1.805   1.646   1.189  0.00  0.00    -0.165 NA
ATOM     12  O   LIG    1        0.216   1.630   2.967  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  19
ATOM     13  C   LIG    1        3.692   0.497  -2.568  0.00  0.00    +0.063 C 
ATOM     14  C   LIG    1        3.270   0.152  -1.188  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        3.990  -0.719  -0.410  0.00  0.00    -0.358 N 
ATOM     16  H   LIG    1        4.844  -1.181  -0.691  0.00  0.00    +0.166 HD
ATOM     17  C   LIG    1        3.394  -0.866   0.823  0.00  0.00    +0.047 A 
ATOM     18  C   LIG    1        2.254  -0.060   0.832  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        1.462  -0.046   2.001  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        1.852  -0.789   3.125  0.00  0.00    +0.014 A 
ATOM     21  C   LIG    1        2.997  -1.580   3.079  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        3.785  -1.639   1.925  0.00  0.00    +0.026 A 
ATOM     23  C   LIG    1        2.194   0.581  -0.440  0.00  0.00    +0.031 A 
ENDBRANCH   1  19
BRANCH   3  24
ATOM     24  N   LIG    1       -0.570  -1.577   0.171  0.00  0.00    -0.343 N 
ATOM     25  H   LIG    1       -0.808  -2.172  -0.619  0.00  0.00    +0.144 HD
ATOM     26  H   LIG    1        0.382  -1.744   0.487  0.00  0.00    +0.144 HD
ENDBRANCH   3  24
TORSDOF 2