REMARK  Name = BDB053296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.490  -1.713  -0.004  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1       -2.567   0.507  -0.499  0.00  0.00    -0.046 A 
ATOM      3  C   LIG    1       -1.466  -0.325  -0.737  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -0.697  -0.841   0.323  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -1.029  -0.501   1.645  0.00  0.00    +0.125 A 
ATOM      6  C   LIG    1       -2.127   0.331   1.883  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.889   0.829   0.821  0.00  0.00    +0.007 A 
BRANCH   5   8
ATOM      8  O   LIG    1       -0.227  -1.028   2.622  0.00  0.00    -0.495 OA
ATOM      9  C   LIG    1       -0.502  -0.668   3.968  0.00  0.00    +0.277 C 
ENDBRANCH   5   8
BRANCH   2  10
ATOM     10  C   LIG    1       -3.386   1.039  -1.650  0.00  0.00    +0.049 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.266  -0.027  -2.326  0.00  0.00    +0.102 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -6.393   0.367  -0.888  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -5.390  -0.624  -1.461  0.00  0.00    +0.011 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -4.794   0.449  -3.668  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -4.720  -0.222  -4.689  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -5.384   1.662  -3.667  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -5.445   2.102  -2.801  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   2  10
ENDBRANCH   1   4
BRANCH   1  18
ATOM     18  N   LIG    1        1.612  -0.911  -0.433  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        1.708   0.004  -0.014  0.00  0.00    +0.149 HD
ATOM     20  C   LIG    1        2.702  -1.492  -1.037  0.00  0.00    +0.245 C 
ATOM     21  O   LIG    1        2.735  -2.659  -1.410  0.00  0.00    -0.270 OA
BRANCH  20  22
ATOM     22  C   LIG    1        3.868  -0.604  -1.289  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        4.444   0.234  -0.310  0.00  0.00    -0.006 A 
ATOM     24  C   LIG    1        5.531   1.044  -0.702  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        6.034   1.013  -2.005  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1        5.468   0.165  -2.950  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1        4.391  -0.644  -2.593  0.00  0.00    +0.013 A 
BRANCH  23  28
ATOM     28  C   LIG    1        4.006   0.275   1.097  0.00  0.00    -0.017 A 
ATOM     29  C   LIG    1        3.533   1.468   1.669  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        3.118   1.511   3.002  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        3.172   0.361   3.785  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        3.639  -0.831   3.237  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        4.055  -0.873   1.904  0.00  0.00    +0.008 A 
ENDBRANCH  23  28
ENDBRANCH  20  22
ENDBRANCH   1  18
TORSDOF 10