REMARK  Name = BDB029527
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.467  -1.047   0.784  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1       -5.376  -0.647   0.423  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -4.243  -0.634   1.198  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1       -4.268  -0.959   2.157  0.00  0.00    +0.151 HD
ATOM      5  C   LIG    1       -3.089  -0.088   0.504  0.00  0.00    +0.115 C 
ATOM      6  C   LIG    1       -2.612   1.199   1.175  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1       -1.302   1.706   0.582  0.00  0.00    +0.110 C 
ATOM      8  N   LIG    1       -0.292   0.654   0.533  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1        1.045   1.092   0.485  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        1.334   2.283   0.385  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1       -0.702  -0.545  -0.200  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1       -1.985  -1.136   0.374  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1       -3.754   0.202  -0.857  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1       -3.205   0.669  -1.843  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.067  -0.147  -0.793  0.00  0.00    -0.238 N 
ATOM     16  H   LIG    1       -5.725  -0.057  -1.548  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1        2.083   0.084   0.619  0.00  0.00    +0.082 A 
ATOM     18  C   LIG    1        3.340   0.104   0.046  0.00  0.00    +0.079 A 
ATOM     19  N   LIG    1        4.008  -1.049   0.468  0.00  0.00    -0.239 N 
ATOM     20  C   LIG    1        5.307  -1.347   0.052  0.00  0.00    +0.113 A 
ATOM     21  C   LIG    1        5.959  -0.514  -0.775  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        5.290   0.696  -1.219  0.00  0.00    +0.004 A 
ATOM     23  N   LIG    1        3.227  -1.788   1.298  0.00  0.00    -0.174 NA
ATOM     24  C   LIG    1        4.037   0.994  -0.826  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        2.098  -1.088   1.405  0.00  0.00    +0.148 A 
ENDBRANCH   9  17
TORSDOF 1