REMARK  Name = BDB026806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.884   1.597  -0.298  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.878   2.747  -0.185  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.940   3.518   0.987  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -2.841   4.579   1.092  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -3.683   4.889   0.026  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.622   4.143  -1.149  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.722   3.082  -1.257  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.199   1.982  -1.238  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.490   2.937  -1.038  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.357   1.083  -1.204  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.299   1.348  -0.019  0.00  0.00    +0.050 C 
BRANCH  11  14
ATOM     12  C   LIG    1        4.547  -1.680   0.582  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        3.451  -0.812   0.607  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        3.498   0.432  -0.040  0.00  0.00    -0.043 A 
ATOM     15  C   LIG    1        4.661   0.794  -0.727  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        5.757  -0.067  -0.754  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        5.702  -1.301  -0.101  0.00  0.00    +0.045 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.424  -3.796   1.217  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        4.360  -2.854   1.259  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1       -1.597   0.279  -0.734  0.00  0.00    +0.186 C 
ATOM     21  O   LIG    1       -1.630  -0.082  -1.913  0.00  0.00    -0.290 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -2.245  -0.539   0.308  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -2.869  -1.824   0.133  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -3.354  -2.236   1.375  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -4.021  -3.451   1.569  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1       -4.201  -4.278   0.456  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -3.731  -3.900  -0.798  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1       -3.047  -1.246   2.276  0.00  0.00    -0.360 N 
ATOM     29  H   LIG    1       -3.287  -1.274   3.257  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1       -3.066  -2.681  -0.972  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -2.379  -0.226   1.651  0.00  0.00    +0.095 A 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8