REMARK  Name = BDB026829
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.451   1.136  -0.527  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.726   2.251   0.474  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.121   3.518   0.015  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -1.371   4.557   0.914  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.218   4.346   2.283  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.807   3.101   2.753  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.555   2.062   1.856  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   9
ATOM      8  O   LIG    1       -0.291  -1.073   0.469  0.00  0.00    -0.290 OA
ATOM      9  C   LIG    1       -1.028  -0.227  -0.049  0.00  0.00    +0.186 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.465  -0.487  -0.223  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -3.167  -1.706   0.077  0.00  0.00    +0.010 A 
ATOM     12  C   LIG    1       -4.513  -1.509  -0.238  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.487  -2.500  -0.069  0.00  0.00    +0.026 A 
ATOM     14  C   LIG    1       -5.077  -3.735   0.439  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.743  -3.966   0.765  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1       -4.634  -0.223  -0.706  0.00  0.00    -0.360 N 
ATOM     17  H   LIG    1       -5.506   0.198  -0.999  0.00  0.00    +0.165 HD
ATOM     18  C   LIG    1       -2.783  -2.964   0.589  0.00  0.00    +0.011 A 
ATOM     19  C   LIG    1       -3.414   0.398  -0.707  0.00  0.00    +0.095 A 
ENDBRANCH   9  10
ENDBRANCH   1   9
BRANCH   1  20
ATOM     20  N   LIG    1        1.015   1.052  -0.762  0.00  0.00    -0.302 NA
ATOM     21  H   LIG    1        1.413   0.583   0.054  0.00  0.00    +0.123 HD
BRANCH  20  22
ATOM     22  C   LIG    1        1.344   0.258  -1.950  0.00  0.00    +0.097 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.863   0.203  -2.256  0.00  0.00    +0.099 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.795  -0.399  -1.293  0.00  0.00    -0.297 NA
ATOM     25  C   LIG    1        3.321  -1.649  -0.679  0.00  0.00    +0.112 C 
ATOM     26  C   LIG    1        4.407  -2.262   0.221  0.00  0.00    +0.175 C 
ATOM     27  O   LIG    1        4.826  -1.339   1.237  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1        5.329  -0.138   0.634  0.00  0.00    +0.175 C 
ATOM     29  C   LIG    1        4.266   0.531  -0.254  0.00  0.00    +0.112 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 7