REMARK  Name = BDB059100
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -5.295  -3.242   0.904  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -4.623  -2.240   0.772  0.00  0.00    +0.245 C 
ATOM      3  C   LIG    1       -5.112  -0.861   0.776  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1       -4.021  -0.008   0.583  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1       -4.226   1.364   0.552  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -5.530   1.849   0.715  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -6.612   0.971   0.905  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.747  -0.814   0.432  0.00  0.00    +0.064 C 
ATOM      9  C   LIG    1       -2.131  -0.662  -0.969  0.00  0.00    +0.049 C 
ATOM     10  C   LIG    1       -1.016   0.377  -0.994  0.00  0.00    +0.110 C 
ATOM     11  N   LIG    1        0.045   0.050  -0.040  0.00  0.00    -0.301 N 
ATOM     12  C   LIG    1       -0.324  -0.788   1.111  0.00  0.00    +0.110 C 
ATOM     13  C   LIG    1       -1.750  -0.489   1.553  0.00  0.00    +0.049 C 
ATOM     14  C   LIG    1       -6.407  -0.408   0.938  0.00  0.00    +0.013 A 
ATOM     15  N   LIG    1       -3.262  -2.175   0.586  0.00  0.00    -0.302 N 
ATOM     16  H   LIG    1       -2.714  -3.023   0.529  0.00  0.00    +0.150 HD
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        1.385   0.305  -0.274  0.00  0.00    +0.198 A 
ATOM     18  N   LIG    1        1.711   1.260  -1.199  0.00  0.00    -0.295 N 
ATOM     19  H   LIG    1        0.998   1.798  -1.656  0.00  0.00    +0.172 HD
ATOM     20  C   LIG    1        2.991   1.623  -1.493  0.00  0.00    +0.256 A 
ATOM     21  O   LIG    1        3.244   2.513  -2.298  0.00  0.00    -0.267 OA
ATOM     22  C   LIG    1        4.041   0.877  -0.776  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        5.473   1.212  -1.062  0.00  0.00    +0.042 C 
ATOM     24  C   LIG    1        6.438   0.618  -0.035  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1        6.051  -0.815   0.315  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1        4.630  -0.879   0.879  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1        3.631  -0.049   0.105  0.00  0.00    +0.053 A 
ATOM     28  N   LIG    1        2.315  -0.333   0.373  0.00  0.00    -0.220 NA
ENDBRANCH  11  17
TORSDOF 1