REMARK  Name = BDB026804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.572  -1.345  -0.070  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.808  -1.858   0.657  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -2.630  -1.009   1.415  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.751  -1.511   2.079  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -4.061  -2.866   2.003  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -3.248  -3.725   1.267  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -2.127  -3.226   0.601  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.685  -1.552   0.697  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.806  -2.550   0.851  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        0.749  -0.874   1.999  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.105  -1.106   2.693  0.00  0.00    +0.054 C 
BRANCH  11  13
ATOM     12  C   LIG    1        3.501   0.898   1.976  0.00  0.00    +0.123 A 
ATOM     13  C   LIG    1        3.287  -0.489   1.980  0.00  0.00    -0.005 A 
ATOM     14  C   LIG    1        4.191  -1.312   1.288  0.00  0.00    +0.007 A 
ATOM     15  C   LIG    1        5.291  -0.765   0.626  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.506   0.611   0.651  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.616   1.442   1.331  0.00  0.00    +0.046 A 
BRANCH  12  19
ATOM     18  C   LIG    1        2.121   2.771   1.898  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        2.623   1.685   2.677  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1       -0.731   0.094  -0.651  0.00  0.00    +0.186 C 
ATOM     21  O   LIG    1       -0.301   1.094  -0.073  0.00  0.00    -0.290 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -1.468   0.249  -1.921  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -1.611   1.454  -2.695  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -2.394   1.152  -3.811  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -2.732   2.101  -4.784  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1       -2.256   3.404  -4.614  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -1.472   3.741  -3.514  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1       -2.722  -0.178  -3.726  0.00  0.00    -0.360 N 
ATOM     29  H   LIG    1       -3.292  -0.670  -4.401  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1       -1.144   2.779  -2.552  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -2.173  -0.732  -2.600  0.00  0.00    +0.095 A 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8