REMARK  Name = BDB051858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.727  -0.127   2.019  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1        1.669   0.162   1.165  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        0.913  -0.660   0.200  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -0.008   0.163  -0.432  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -0.029   1.494   0.138  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1        1.060  -1.853   0.010  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        1.092   1.444   1.121  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1        1.547   2.476   1.926  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        2.603   2.211   2.792  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.182   0.931   2.837  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.059  -0.353  -1.311  0.00  0.00    +0.079 C 
ATOM     12  C   LIG    1       -1.513   0.658  -2.368  0.00  0.00    +0.037 C 
ATOM     13  C   LIG    1       -2.627   0.069  -3.230  0.00  0.00    +0.082 C 
ATOM     14  N   LIG    1       -3.762  -0.374  -2.420  0.00  0.00    -0.316 NA
ATOM     15  H   LIG    1       -4.170   0.426  -1.936  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1       -3.353  -1.380  -1.438  0.00  0.00    +0.082 C 
ATOM     17  C   LIG    1       -2.263  -0.858  -0.506  0.00  0.00    +0.037 C 
ENDBRANCH   4  11
BRANCH   1  21
ATOM     18  N   LIG    1        3.199  -2.450   1.316  0.00  0.00    -0.325 N 
ATOM     19  H   LIG    1        2.416  -2.464   0.665  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1        3.643  -3.336   1.513  0.00  0.00    +0.145 HD
ATOM     21  C   LIG    1        3.446  -1.424   2.173  0.00  0.00    +0.242 C 
ATOM     22  O   LIG    1        4.276  -1.576   3.066  0.00  0.00    -0.270 OA
ENDBRANCH   1  21
TORSDOF 2