REMARK  Name = BDB046156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.204  -1.048   1.341  0.00  0.00    +0.086 A 
ATOM      2  C   LIG    1        0.127  -0.423   0.684  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -1.139  -1.049   0.807  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.209  -2.225   1.558  0.00  0.00    +0.229 A 
ATOM      5  O   LIG    1       -2.480  -2.705   1.574  0.00  0.00    -0.437 OA
ATOM      6  C   LIG    1       -3.247  -1.847   0.855  0.00  0.00    +0.138 A 
ATOM      7  C   LIG    1       -4.617  -1.987   0.641  0.00  0.00    +0.050 A 
ATOM      8  C   LIG    1       -5.235  -0.992  -0.120  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -4.500   0.076  -0.626  0.00  0.00    +0.118 A 
ATOM     10  C   LIG    1       -3.124   0.198  -0.401  0.00  0.00    +0.057 A 
ATOM     11  N   LIG    1       -0.204  -2.841   2.205  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1       -2.478  -0.798   0.361  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        0.982  -2.206   2.077  0.00  0.00    +0.130 A 
ENDROOT
BRANCH   2  14
ATOM     14  C   LIG    1        0.238   0.830  -0.062  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1        0.328   0.828  -1.463  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        0.432   2.026  -2.174  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        0.449   3.241  -1.492  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        0.362   3.260  -0.102  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        0.259   2.063   0.610  0.00  0.00    +0.008 A 
ENDBRANCH   2  14
BRANCH   1  20
ATOM     20  C   LIG    1        2.580  -0.529   1.331  0.00  0.00    +0.341 C 
ATOM     21  O   LIG    1        3.254  -0.411   2.340  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1        2.970  -0.304   0.055  0.00  0.00    -0.461 OA
BRANCH  22  24
ATOM     23  C   LIG    1        5.290  -0.932  -0.209  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1        4.298   0.211  -0.110  0.00  0.00    +0.229 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   1  20
BRANCH   9  25
ATOM     25  O   LIG    1       -5.175   1.012  -1.356  0.00  0.00    -0.507 OA
ATOM     26  H   LIG    1       -4.550   1.703  -1.634  0.00  0.00    +0.292 HD
ENDBRANCH   9  25
TORSDOF 5