REMARK  Name = BDB037056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.222   0.007  -0.185  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.156   0.316  -1.138  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        0.995   0.513  -2.327  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        2.445   0.386  -0.455  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        2.229   0.079   0.876  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1        3.257   0.050   1.796  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        4.541   0.350   1.329  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        4.762   0.664  -0.029  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        3.703   0.683  -0.942  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.802  -0.190   1.039  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        0.286  -0.536   2.084  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  14
ATOM     12  C   LIG    1       -2.084   1.874   0.476  0.00  0.00    +0.010 C 
ATOM     13  C   LIG    1       -2.197   0.349   0.446  0.00  0.00    +0.025 C 
ATOM     14  C   LIG    1       -1.169  -0.282  -0.506  0.00  0.00    +0.174 C 
ATOM     15  C   LIG    1       -1.338  -1.807  -0.551  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -0.415  -2.592  -0.767  0.00  0.00    -0.273 OA
ATOM     17  N   LIG    1       -2.622  -2.277  -0.402  0.00  0.00    -0.255 N 
ATOM     18  H   LIG    1       -2.729  -3.282  -0.434  0.00  0.00    +0.158 HD
ATOM     19  C   LIG    1       -3.746  -1.564  -0.074  0.00  0.00    +0.220 C 
ATOM     20  O   LIG    1       -4.823  -2.126   0.101  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1       -3.599  -0.063  -0.010  0.00  0.00    +0.101 C 
ENDBRANCH   1  14
TORSDOF 1