REMARK  Name = BDB052661
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.441   0.558  -0.035  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -2.448  -0.248  -0.646  0.00  0.00    +0.042 A 
ATOM      3  C   LIG    1       -3.901  -0.126  -0.703  0.00  0.00    +0.165 C 
ATOM      4  C   LIG    1       -4.625  -1.158  -1.568  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -3.916  -2.522  -1.579  0.00  0.00    +0.014 C 
ATOM      6  C   LIG    1       -2.444  -2.413  -2.010  0.00  0.00    +0.054 C 
ATOM      7  O   LIG    1       -4.513   0.777  -0.137  0.00  0.00    -0.292 OA
ATOM      8  C   LIG    1       -1.806  -1.307  -1.249  0.00  0.00    +0.027 A 
ATOM      9  N   LIG    1       -0.463  -1.181  -1.034  0.00  0.00    -0.358 N 
ATOM     10  H   LIG    1        0.238  -1.834  -1.373  0.00  0.00    +0.166 HD
ATOM     11  C   LIG    1       -0.210  -0.054  -0.285  0.00  0.00    +0.044 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        1.110   0.321   0.102  0.00  0.00    +0.039 C 
ATOM     13  C   LIG    1        2.283  -0.286  -0.141  0.00  0.00    +0.048 C 
ATOM     14  C   LIG    1        3.575   0.245   0.341  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        4.559  -0.646  -0.097  0.00  0.00    +0.042 A 
ATOM     16  C   LIG    1        5.901  -0.469   0.171  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        6.263   0.657   0.913  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        5.288   1.565   1.361  0.00  0.00    +0.001 A 
ATOM     19  N   LIG    1        3.987  -1.690  -0.813  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1        4.486  -2.458  -1.234  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1        3.932   1.364   1.077  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1        2.612  -1.555  -0.893  0.00  0.00    +0.249 C 
ATOM     23  O   LIG    1        1.849  -2.317  -1.459  0.00  0.00    -0.270 OA
ENDBRANCH  11  12
BRANCH   1  24
ATOM     24  C   LIG    1       -1.687   1.824   0.736  0.00  0.00    +0.049 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.041   1.547   2.193  0.00  0.00    +0.125 C 
BRANCH  25  27
ATOM     26  O   LIG    1       -1.902   3.949   2.608  0.00  0.00    -0.251 OA
ATOM     27  C   LIG    1       -2.248   2.829   2.944  0.00  0.00    +0.305 C 
BRANCH  27  28
ATOM     28  O   LIG    1       -2.851   2.630   4.133  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1       -2.933   3.530   4.512  0.00  0.00    +0.295 HD
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 5