REMARK  Name = BDB052853
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.183  -0.710  -1.328  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1       -0.804  -1.923  -1.740  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1       -1.711  -2.297  -0.743  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1       -2.389  -3.533  -0.818  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -2.200  -4.344  -1.941  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -1.341  -3.958  -2.961  0.00  0.00    +0.001 A 
ATOM      7  N   LIG    1       -1.696  -1.298   0.235  0.00  0.00    -0.280 N 
ATOM      8  C   LIG    1       -0.631  -2.759  -2.865  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -0.802  -0.301  -0.153  0.00  0.00    +0.219 A 
ENDROOT
BRANCH   1  11
ATOM     10  O   LIG    1        0.702   0.335  -3.219  0.00  0.00    -0.270 OA
ATOM     11  C   LIG    1        0.860   0.009  -2.044  0.00  0.00    +0.252 C 
ATOM     12  N   LIG    1        2.026   0.315  -1.340  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        2.547  -0.514  -0.242  0.00  0.00    +0.129 C 
ATOM     14  CA  LIG    1        3.416   0.291   0.767  0.00  0.00    +0.097 C 
ATOM     15  N   LIG    1        3.780   1.655   0.301  0.00  0.00    -0.308 NA
ATOM     16  H   LIG    1        2.928   2.223   0.334  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        4.173   1.581  -1.118  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        3.004   1.159  -2.025  0.00  0.00    +0.123 C 
BRANCH  14  19
ATOM     19  C   LIG    1        2.733   0.363   2.146  0.00  0.00    +0.176 C 
BRANCH  19  20
ATOM     20  O   LIG    1        2.638  -0.931   2.737  0.00  0.00    -0.393 OA
ATOM     21  H   LIG    1        3.532  -1.177   3.034  0.00  0.00    +0.209 HD
ENDBRANCH  19  20
ENDBRANCH  14  19
ENDBRANCH   1  11
BRANCH   7  22
ATOM     22  C   LIG    1       -2.489  -1.272   1.425  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -3.822  -1.700   1.400  0.00  0.00    +0.026 A 
ATOM     24  C   LIG    1       -4.591  -1.666   2.566  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.036  -1.205   3.758  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.712  -0.770   3.787  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -1.939  -0.798   2.624  0.00  0.00    +0.026 A 
ENDBRANCH   7  22
BRANCH   9  28
ATOM     28  O   LIG    1       -0.682   0.817   0.577  0.00  0.00    -0.439 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -0.604   2.067   0.009  0.00  0.00    +0.130 A 
ATOM     30  C   LIG    1        0.079   3.039   0.744  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1        0.201   4.338   0.250  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -0.376   4.673  -0.974  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -1.087   3.713  -1.694  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -1.212   2.414  -1.198  0.00  0.00    +0.046 A 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 6