REMARK  Name = BDB027951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.302   0.103   0.875  0.00  0.00    -0.266 N 
ATOM      2  N   LIG    1       -1.656  -0.181  -0.395  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -2.980  -0.001  -0.396  0.00  0.00    +0.157 A 
ATOM      4  C   LIG    1       -3.470   0.407   0.862  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1       -2.358   0.465   1.663  0.00  0.00    +0.131 A 
ENDROOT
BRANCH   1  10
ATOM      6  C   LIG    1        3.963  -0.756  -0.471  0.00  0.00    +0.403 C 
ATOM      7  N   LIG    1        2.693  -0.431  -0.024  0.00  0.00    -0.267 N 
ATOM      8  C   LIG    1        2.405   0.826   0.658  0.00  0.00    +0.113 C 
ATOM      9  C   LIG    1        0.919   1.151   0.667  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1        0.098   0.008   1.285  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1        0.683  -1.387   1.004  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1        1.597  -1.376  -0.214  0.00  0.00    +0.113 C 
ATOM     13  O   LIG    1        4.230  -1.792  -1.067  0.00  0.00    -0.226 OA
BRANCH   6  14
ATOM     14  O   LIG    1        4.870   0.205  -0.157  0.00  0.00    -0.445 OA
BRANCH  14  16
ATOM     15  C   LIG    1        6.912  -1.139   0.155  0.00  0.00    +0.055 C 
ATOM     16  C   LIG    1        6.265   0.069  -0.531  0.00  0.00    +0.107 C 
ATOM     17  C   LIG    1        6.933   1.348  -0.003  0.00  0.00    +0.055 C 
ATOM     18  C   LIG    1        6.433   0.024  -2.054  0.00  0.00    +0.055 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1  10
BRANCH   4  19
ATOM     19  N   LIG    1       -4.718   0.699   1.301  0.00  0.00    -0.331 N 
ATOM     20  H   LIG    1       -4.856   0.682   2.311  0.00  0.00    +0.147 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -5.956   0.391   0.575  0.00  0.00    +0.158 C 
ATOM     22  C   LIG    1       -6.081  -1.095   0.202  0.00  0.00    +0.239 C 
ATOM     23  O   LIG    1       -5.794  -2.014   0.969  0.00  0.00    -0.273 OA
ATOM     24  N   LIG    1       -6.623  -1.368  -1.032  0.00  0.00    -0.255 N 
ATOM     25  H   LIG    1       -6.718  -2.350  -1.255  0.00  0.00    +0.158 HD
ATOM     26  C   LIG    1       -7.384  -0.520  -1.795  0.00  0.00    +0.219 C 
ATOM     27  O   LIG    1       -8.077  -0.946  -2.714  0.00  0.00    -0.275 OA
ATOM     28  C   LIG    1       -7.405   0.932  -1.379  0.00  0.00    +0.098 C 
ATOM     29  C   LIG    1       -6.137   1.310  -0.632  0.00  0.00    +0.041 C 
ENDBRANCH  19  21
ENDBRANCH   4  19
TORSDOF 5