REMARK  Name = BDB025447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.786  -0.285  -1.340  0.00  0.00    +0.218 C 
ATOM      2  N   LIG    1        3.579   0.073  -0.749  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        2.504   0.488  -1.680  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1        1.162   0.426  -1.017  0.00  0.00    +0.086 A 
ATOM      5  N   LIG    1        0.021   0.661  -1.659  0.00  0.00    -0.165 NA
ATOM      6  N   LIG    1       -0.966   0.557  -0.707  0.00  0.00    -0.185 N 
ATOM      7  C   LIG    1       -0.409   0.145   0.524  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -2.286   0.889  -1.107  0.00  0.00    +0.257 C 
ATOM      9  O   LIG    1       -2.532   1.091  -2.296  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        0.954   0.127   0.339  0.00  0.00    +0.018 A 
ATOM     11  C   LIG    1        2.082  -0.181   1.251  0.00  0.00    +0.059 C 
ATOM     12  C   LIG    1        3.390   0.397   0.681  0.00  0.00    +0.113 C 
ATOM     13  O   LIG    1        4.902  -0.344  -2.567  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1       -3.323   0.998  -0.014  0.00  0.00    +0.113 C 
ATOM     15  C   LIG    1       -4.170  -0.248   0.193  0.00  0.00    -0.014 A 
ATOM     16  C   LIG    1       -5.438  -0.093   0.785  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1       -6.204  -1.234   1.061  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1       -5.756  -2.506   0.708  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -4.523  -2.655   0.087  0.00  0.00    +0.000 A 
ATOM     20  N   LIG    1       -5.914   1.150   1.203  0.00  0.00    -0.344 N 
ATOM     21  H   LIG    1       -6.928   1.214   1.198  0.00  0.00    +0.146 HD
ATOM     22  C   LIG    1       -5.232   2.373   0.803  0.00  0.00    +0.102 C 
ATOM     23  C   LIG    1       -3.730  -1.536  -0.166  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -4.273   2.158  -0.356  0.00  0.00    +0.036 C 
ENDBRANCH   8  14
BRANCH   1  26
ATOM     25  C   LIG    1        7.004  -1.464  -1.174  0.00  0.00    +0.017 C 
ATOM     26  C   LIG    1        5.987  -0.587  -0.439  0.00  0.00    +0.069 C 
ATOM     27  C   LIG    1        6.656   0.713   0.004  0.00  0.00    +0.017 C 
ENDBRANCH   1  26
BRANCH   7  28
ATOM     28  N   LIG    1       -1.079  -0.175   1.661  0.00  0.00    -0.343 N 
ATOM     29  H   LIG    1       -0.556  -0.605   2.424  0.00  0.00    +0.144 HD
ATOM     30  H   LIG    1       -2.018  -0.573   1.635  0.00  0.00    +0.144 HD
ENDBRANCH   7  28
TORSDOF 3