REMARK  Name = BDB003887
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.319   0.200   0.368  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1       -2.425   0.456   1.293  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -3.666   0.481   0.362  0.00  0.00    +0.064 C 
ATOM      4  C   LIG    1       -4.903   0.141   1.191  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -4.872   0.012   2.415  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -6.116   0.008   0.566  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -6.781  -0.135   1.321  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -6.622   0.999  -0.236  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -7.600   1.656   0.106  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -5.944   1.185  -1.565  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -4.668   2.007  -1.516  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -3.813   1.887  -0.255  0.00  0.00    +0.018 C 
ATOM     13  C   LIG    1       -3.286  -0.633  -0.626  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1       -1.776  -0.482  -0.830  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1        2.322  -0.330   0.584  0.00  0.00    +0.064 A 
ATOM     16  C   LIG    1        1.034  -0.237   0.045  0.00  0.00    +0.058 A 
ATOM     17  C   LIG    1       -0.041   0.083   0.864  0.00  0.00    +0.122 A 
ATOM     18  N   LIG    1        0.158   0.327   2.178  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        1.405   0.235   2.687  0.00  0.00    +0.113 A 
ATOM     20  C   LIG    1        2.515  -0.090   1.940  0.00  0.00    +0.035 A 
BRANCH  15  21
ATOM     21  C   LIG    1        3.438  -0.682  -0.332  0.00  0.00    +0.340 C 
ATOM     22  O   LIG    1        3.274  -0.927  -1.515  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        4.611  -0.684   0.342  0.00  0.00    -0.455 OA
BRANCH  23  25
ATOM     24  C   LIG    1        6.166   0.029  -1.431  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        5.856  -0.997  -0.336  0.00  0.00    +0.106 C 
ATOM     26  C   LIG    1        5.847  -2.430  -0.879  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        6.931  -0.892   0.756  0.00  0.00    +0.055 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  17
TORSDOF 4