REMARK  Name = BDB027875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.983  -1.010   0.177  0.00  0.00    -0.323 N 
ATOM      2  H   LIG    1        1.862  -1.866  -0.359  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        2.947  -0.215  -0.461  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1        4.199  -0.779  -0.764  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        5.097   0.064  -1.421  0.00  0.00    +0.095 A 
ATOM      6  C   LIG    1        6.331  -0.485  -1.736  0.00  0.00    +0.139 A 
ATOM      7  N   LIG    1        6.739  -1.752  -1.459  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1        5.858  -2.531  -0.809  0.00  0.00    +0.111 A 
ATOM      9  N   LIG    1        4.810   1.334  -1.736  0.00  0.00    -0.226 NA
ATOM     10  C   LIG    1        3.602   1.795  -1.377  0.00  0.00    +0.162 A 
ATOM     11  C   LIG    1        4.596  -2.100  -0.445  0.00  0.00    +0.033 A 
ATOM     12  N   LIG    1        2.665   1.063  -0.752  0.00  0.00    -0.212 NA
BRANCH  10  13
ATOM     13  C   LIG    1        3.277   3.196  -1.703  0.00  0.00    +0.022 A 
ATOM     14  C   LIG    1        4.178   4.016  -2.401  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        3.829   5.327  -2.688  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        2.654   5.883  -2.334  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1        1.793   5.095  -1.661  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        2.054   3.774  -1.331  0.00  0.00    +0.031 A 
ENDBRANCH  10  13
ENDBRANCH   1   3
BRANCH   1  20
ATOM     19  C   LIG    1        0.880   0.658   1.659  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1        0.678  -0.488   0.651  0.00  0.00    +0.029 C 
ATOM     21  C   LIG    1        0.043  -1.666   1.427  0.00  0.00    +0.031 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -0.211  -0.086  -0.558  0.00  0.00    +0.044 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -1.633   0.375  -0.234  0.00  0.00    +0.109 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -2.544  -0.727  -0.026  0.00  0.00    -0.281 N 
ATOM     25  H   LIG    1       -2.630  -1.451  -0.726  0.00  0.00    +0.152 HD
ATOM     26  C   LIG    1       -3.612  -0.637   0.816  0.00  0.00    +0.401 C 
ATOM     27  O   LIG    1       -3.816   0.278   1.597  0.00  0.00    -0.226 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -4.396  -1.722   0.630  0.00  0.00    -0.445 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -5.610  -1.899   1.404  0.00  0.00    +0.107 C 
ATOM     30  C   LIG    1       -6.198  -3.229   0.908  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -6.621  -0.782   1.121  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -5.303  -2.028   2.901  0.00  0.00    +0.055 C 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8