REMARK  Name = BDB000114
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.630  -0.467   0.356  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1       -2.809  -0.332   0.921  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1       -3.430  -0.905  -0.927  0.00  0.00    +0.303 C 
ATOM      4  N   LIG    1       -2.222  -0.566  -1.473  0.00  0.00    -0.275 N 
ATOM      5  C   LIG    1       -1.202   0.336  -0.880  0.00  0.00    +0.150 C 
ATOM      6  C   LIG    1       -0.218   0.408  -1.961  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -0.621  -0.332  -3.071  0.00  0.00    +0.087 A 
ATOM      8  N   LIG    1        0.240  -0.303  -4.080  0.00  0.00    -0.175 NA
ATOM      9  N   LIG    1        1.228   0.489  -3.584  0.00  0.00    -0.263 N 
ATOM     10  H   LIG    1        2.048   0.690  -4.152  0.00  0.00    +0.190 HD
ATOM     11  C   LIG    1        0.989   0.948  -2.299  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1       -1.924  -0.986  -2.870  0.00  0.00    +0.167 C 
ATOM     13  O   LIG    1       -4.277  -1.539  -1.550  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  14
ATOM     14  N   LIG    1        1.840   1.767  -1.590  0.00  0.00    -0.270 N 
ATOM     15  H   LIG    1        1.590   2.023  -0.640  0.00  0.00    +0.156 HD
ATOM     16  C   LIG    1        3.058   2.181  -2.107  0.00  0.00    +0.223 C 
ATOM     17  O   LIG    1        3.485   1.875  -3.220  0.00  0.00    -0.275 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.840   3.077  -1.165  0.00  0.00    +0.134 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.538   2.303  -0.080  0.00  0.00    -0.003 A 
ATOM     20  C   LIG    1        3.846   1.923   1.074  0.00  0.00    +0.127 A 
ATOM     21  F   LIG    1        2.552   2.253   1.206  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        4.463   1.193   2.084  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        5.800   0.824   1.945  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        6.504   1.183   0.795  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.877   1.916  -0.216  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  11  14
BRANCH   1  26
ATOM     26  C   LIG    1       -4.852  -0.783   1.071  0.00  0.00    +0.106 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.880  -2.214   1.613  0.00  0.00    +0.018 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -3.753  -1.706   3.849  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -3.750  -2.557   2.589  0.00  0.00    -0.002 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 6