REMARK  Name = BDB005992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.315   0.636  -0.812  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1       -3.079  -0.167   0.021  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -2.723  -1.192   0.569  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -4.416   0.449   0.138  0.00  0.00    +0.054 A 
ATOM      5  C   LIG    1       -4.364   1.642  -0.604  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -5.464   2.477  -0.720  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -6.640   2.100  -0.080  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -6.696   0.907   0.660  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -5.578   0.053   0.790  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1       -3.012   1.843  -1.200  0.00  0.00    +0.144 C 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        1.556  -1.006  -0.150  0.00  0.00    -0.298 NA
ATOM     12  C   LIG    1        1.409   0.453  -0.061  0.00  0.00    +0.086 C 
ATOM     13  C   LIG    1       -0.040   0.892   0.143  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -0.881   0.477  -1.069  0.00  0.00    +0.079 C 
ATOM     15  C   LIG    1       -0.504  -0.923  -1.585  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1        0.333  -1.703  -0.572  0.00  0.00    +0.086 C 
BRANCH  11  17
ATOM     17  C   LIG    1        2.726  -1.405  -0.949  0.00  0.00    +0.119 C 
BRANCH  17  22
ATOM     18  C   LIG    1        7.805   0.446   1.246  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        6.512  -0.050   0.672  0.00  0.00    -0.050 A 
ATOM     20  C   LIG    1        6.119   0.322  -0.619  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        4.899  -0.114  -1.143  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.043  -0.919  -0.380  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1        4.435  -1.280   0.916  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        5.654  -0.844   1.440  0.00  0.00    +0.003 A 
ENDBRANCH  17  22
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   9  25
ATOM     25  C   LIG    1       -5.790  -1.174   1.609  0.00  0.00    +0.242 C 
ATOM     26  O   LIG    1       -6.921  -1.508   1.952  0.00  0.00    -0.270 OA
ATOM     27  N   LIG    1       -4.728  -1.926   2.001  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1       -4.923  -2.794   2.479  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -3.788  -1.810   1.626  0.00  0.00    +0.145 HD
ENDBRANCH   9  25
TORSDOF 4