REMARK  Name = BDB029540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.158   0.801   0.533  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        5.005   0.418   0.623  0.00  0.00    +0.220 C 
ATOM      3  N   LIG    1        4.557  -0.526   1.486  0.00  0.00    -0.256 N 
ATOM      4  H   LIG    1        5.142  -0.897   2.217  0.00  0.00    +0.157 HD
ATOM      5  C   LIG    1        3.204  -0.596   1.516  0.00  0.00    +0.226 C 
ATOM      6  O   LIG    1        2.554  -1.130   2.399  0.00  0.00    -0.275 OA
ATOM      7  C   LIG    1        2.652   0.072   0.268  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1        1.391   0.900   0.572  0.00  0.00    +0.035 C 
ATOM      9  C   LIG    1        0.135   0.040   0.759  0.00  0.00    +0.109 C 
ATOM     10  N   LIG    1       -0.015  -0.881  -0.366  0.00  0.00    -0.297 N 
ATOM     11  C   LIG    1       -0.775  -0.564  -1.498  0.00  0.00    +0.250 C 
ATOM     12  O   LIG    1       -0.431  -0.909  -2.627  0.00  0.00    -0.270 OA
ATOM     13  C   LIG    1        1.112  -1.787  -0.540  0.00  0.00    +0.109 C 
ATOM     14  C   LIG    1        2.393  -0.999  -0.814  0.00  0.00    +0.035 C 
ATOM     15  C   LIG    1        3.836   0.975  -0.138  0.00  0.00    +0.112 C 
ENDROOT
BRANCH  11  16
ATOM     16  C   LIG    1       -2.002   0.187  -1.304  0.00  0.00    +0.082 A 
ATOM     17  C   LIG    1       -3.024   0.064  -0.309  0.00  0.00    +0.032 A 
ATOM     18  C   LIG    1       -3.979   1.026  -0.625  0.00  0.00    +0.136 A 
ATOM     19  C   LIG    1       -5.141   1.248   0.110  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -5.343   0.430   1.226  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -4.420  -0.560   1.570  0.00  0.00    +0.001 A 
ATOM     22  O   LIG    1       -3.620   1.700  -1.750  0.00  0.00    -0.462 OA
ATOM     23  C   LIG    1       -3.258  -0.759   0.811  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -2.444   1.168  -2.169  0.00  0.00    +0.209 A 
ENDBRANCH  11  16
TORSDOF 1