REMARK  Name = BDB029488
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.521   0.232  -0.773  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        5.314   0.080  -0.609  0.00  0.00    +0.219 C 
ATOM      3  N   LIG    1        4.795  -1.149  -0.294  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1        5.505  -1.843  -0.095  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1        3.617  -1.349   0.384  0.00  0.00    +0.227 C 
ATOM      6  O   LIG    1        3.489  -2.309   1.136  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        2.526  -0.327   0.115  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1        1.358  -0.461   1.099  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1        0.195   0.002   0.354  0.00  0.00    -0.296 N 
ATOM     10  C   LIG    1       -1.028   0.139   0.984  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1       -1.203  -0.089   2.177  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1        0.451   0.015  -1.077  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        1.827  -0.624  -1.227  0.00  0.00    +0.036 C 
ATOM     14  C   LIG    1        3.152   1.075   0.184  0.00  0.00    +0.027 C 
ATOM     15  C   LIG    1        4.330   1.213  -0.771  0.00  0.00    +0.097 C 
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -2.187   0.566   0.176  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -3.320  -0.225   0.113  0.00  0.00    -0.005 A 
ATOM     18  C   LIG    1       -3.620  -1.551   0.748  0.00  0.00    +0.133 C 
ATOM     19  C   LIG    1       -5.036  -1.838   0.234  0.00  0.00    +0.222 C 
ATOM     20  N   LIG    1       -5.418  -0.765  -0.564  0.00  0.00    -0.285 N 
ATOM     21  H   LIG    1       -6.320  -0.717  -1.014  0.00  0.00    +0.155 HD
ATOM     22  O   LIG    1       -5.715  -2.824   0.467  0.00  0.00    -0.275 OA
ATOM     23  C   LIG    1       -4.417   0.188  -0.638  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -4.441   1.381  -1.331  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -3.308   2.195  -1.253  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -2.188   1.795  -0.501  0.00  0.00    +0.013 A 
ENDBRANCH  10  16
TORSDOF 1