REMARK  Name = BDB002432
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.125   1.042   0.593  0.00  0.00    -0.315 N 
ATOM      2  C   LIG    1        1.026   0.795   2.041  0.00  0.00    +0.107 C 
ATOM      3  C   LIG    1       -0.396   0.435   2.446  0.00  0.00    +0.032 C 
ATOM      4  C   LIG    1       -1.392   1.524   2.041  0.00  0.00    +0.078 C 
ATOM      5  C   LIG    1       -0.832   2.521   1.017  0.00  0.00    +0.032 C 
ATOM      6  C   LIG    1        0.076   1.873  -0.020  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.127   0.359  -0.596  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        1.846   0.138  -0.214  0.00  0.00    +0.131 A 
ATOM      9  N   LIG    1        1.220  -1.069  -0.609  0.00  0.00    -0.182 N 
ATOM     10  C   LIG    1        1.894  -2.028  -1.368  0.00  0.00    +0.255 A 
ATOM     11  N   LIG    1        1.113  -3.071  -1.542  0.00  0.00    -0.197 NA
ATOM     12  C   LIG    1       -0.030  -2.725  -0.898  0.00  0.00    +0.247 A 
ATOM     13  N   LIG    1        3.164  -1.829  -1.811  0.00  0.00    -0.215 NA
ATOM     14  N   LIG    1       -0.049  -1.511  -0.348  0.00  0.00    -0.151 NA
ATOM     15  C   LIG    1        3.745  -0.719  -1.461  0.00  0.00    +0.049 A 
ATOM     16  C   LIG    1        5.146  -0.504  -1.992  0.00  0.00    +0.066 C 
BRANCH   7  18
ATOM     17  C   LIG    1        4.732   1.417   1.025  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        3.907   1.597  -0.241  0.00  0.00    +0.037 C 
ENDBRANCH   7  18
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  C   LIG    1       -2.743   0.966   1.589  0.00  0.00    +0.220 C 
ATOM     20  N   LIG    1       -2.699   0.125   0.493  0.00  0.00    -0.285 N 
ATOM     21  H   LIG    1       -1.784  -0.198   0.179  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1       -3.760   1.331   2.177  0.00  0.00    -0.275 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.800  -0.404  -0.220  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1       -3.519  -1.177  -1.353  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -4.548  -1.735  -2.118  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.875  -1.522  -1.758  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.168  -0.749  -0.637  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.136  -0.191   0.126  0.00  0.00    +0.023 A 
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 4