REMARK  Name = BDB002604
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.455   1.320   0.142  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -1.259   2.099   0.751  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -0.575   1.154  -0.905  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1        0.548   1.937  -0.722  0.00  0.00    -0.295 N 
ATOM      5  H   LIG    1        0.803   2.119   0.236  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1       -0.731   0.443  -1.889  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.422  -1.305   1.259  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -5.133  -0.611   0.935  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1       -4.332  -1.058  -0.120  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -3.113  -0.433  -0.407  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -2.672   0.644   0.361  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -3.464   1.079   1.430  0.00  0.00    +0.023 A 
ATOM     13  C   LIG    1       -4.683   0.456   1.718  0.00  0.00    +0.005 A 
ENDBRANCH   1  11
BRANCH   4  14
ATOM     14  C   LIG    1        1.650   1.875  -1.659  0.00  0.00    +0.141 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.721   0.931  -1.171  0.00  0.00    -0.027 A 
ATOM     16  C   LIG    1        3.834   1.420  -0.468  0.00  0.00    +0.054 A 
ATOM     17  C   LIG    1        4.772   0.511  -0.023  0.00  0.00    +0.167 A 
ATOM     18  O   LIG    1        5.904   0.815   0.668  0.00  0.00    -0.453 OA
ATOM     19  C   LIG    1        6.471  -0.500   0.848  0.00  0.00    +0.466 C 
ATOM     20  O   LIG    1        5.669  -1.555   0.278  0.00  0.00    -0.453 OA
ATOM     21  C   LIG    1        4.638  -0.839  -0.244  0.00  0.00    +0.166 A 
ATOM     22  C   LIG    1        3.557  -1.358  -0.922  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1        2.590  -0.461  -1.386  0.00  0.00    +0.009 A 
ENDBRANCH  14  15
ENDBRANCH   4  14
TORSDOF 3