REMARK  Name = BDB005984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.907  -0.301   1.154  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.096  -1.568   1.461  0.00  0.00    +0.038 C 
ATOM      3  C   LIG    1        0.925  -1.858   0.364  0.00  0.00    +0.086 C 
ATOM      4  N   LIG    1        1.901  -0.770   0.232  0.00  0.00    -0.298 NA
ATOM      5  C   LIG    1        1.323   0.576   0.365  0.00  0.00    +0.086 C 
ATOM      6  C   LIG    1       -0.188   0.621   0.158  0.00  0.00    +0.038 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -5.803   0.301   0.077  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -4.496  -0.161   0.174  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1       -3.327   0.309   0.944  0.00  0.00    +0.248 C 
ATOM     10  N   LIG    1       -2.280  -0.574   0.712  0.00  0.00    -0.290 N 
ATOM     11  C   LIG    1       -2.613  -1.555  -0.301  0.00  0.00    +0.144 C 
ATOM     12  O   LIG    1       -3.287   1.306   1.640  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1       -4.053  -1.270  -0.568  0.00  0.00    -0.017 A 
ATOM     14  C   LIG    1       -4.897  -1.953  -1.430  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -6.210  -1.510  -1.546  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -6.654  -0.401  -0.805  0.00  0.00    +0.014 A 
BRANCH   7  20
ATOM     17  N   LIG    1       -5.741   2.075   1.798  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1       -6.161   2.904   2.196  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -4.748   1.935   1.976  0.00  0.00    +0.145 HD
ATOM     20  C   LIG    1       -6.420   1.450   0.800  0.00  0.00    +0.242 C 
ATOM     21  O   LIG    1       -7.551   1.834   0.512  0.00  0.00    -0.270 OA
ENDBRANCH   7  20
ENDBRANCH   1  10
BRANCH   4  22
ATOM     22  C   LIG    1        2.709  -0.936  -0.986  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.994  -0.133  -0.969  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1        4.888  -0.239   0.106  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        6.083   0.485   0.114  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1        6.415   1.321  -0.961  0.00  0.00    +0.055 A 
ATOM     27  C   LIG    1        5.521   1.427  -2.037  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1        4.326   0.703  -2.043  0.00  0.00    +0.005 A 
BRANCH  26  29
ATOM     29  C   LIG    1        7.693   2.122  -0.945  0.00  0.00    +0.417 C 
ATOM     30  F   LIG    1        8.203   2.341  -2.190  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        8.693   1.524  -0.237  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        7.527   3.353  -0.388  0.00  0.00    -0.166 F 
ENDBRANCH  26  29
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 5