REMARK  Name = BDB026905
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.894  -0.096   0.411  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.970   1.394   0.092  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -0.560   1.927  -1.140  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.637   3.300  -1.385  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -1.117   4.162  -0.403  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -1.517   3.654   0.830  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -1.440   2.282   1.077  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1        0.275  -0.435   1.276  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.234   0.171   2.094  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        1.587  -0.270   0.638  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.703  -0.471   1.677  0.00  0.00    +0.050 C 
BRANCH  11  15
ATOM     12  C   LIG    1        6.607   0.040  -0.098  0.00  0.00    +0.052 A 
ATOM     13  C   LIG    1        5.979  -1.209  -0.130  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1        4.718  -1.374   0.449  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        4.075  -0.295   1.070  0.00  0.00    -0.046 A 
ATOM     16  C   LIG    1        4.707   0.956   1.093  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1        5.968   1.122   0.514  0.00  0.00    +0.019 A 
BRANCH  12  19
ATOM     18  N   LIG    1        8.949   0.350  -1.170  0.00  0.00    -0.191 NA
ATOM     19  C   LIG    1        7.901   0.210  -0.691  0.00  0.00    +0.099 C 
ENDBRANCH  12  19
ENDBRANCH  11  15
ENDBRANCH  10  11
ENDBRANCH   8  10
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1       -1.039  -1.038  -0.814  0.00  0.00    +0.186 C 
ATOM     21  O   LIG    1       -0.116  -1.222  -1.613  0.00  0.00    -0.290 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -2.312  -1.747  -1.019  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -3.666  -1.376  -0.707  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -4.487  -2.440  -1.095  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -5.878  -2.435  -0.927  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1       -6.463  -1.302  -0.359  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -5.684  -0.214   0.016  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1       -3.678  -3.402  -1.649  0.00  0.00    -0.360 N 
ATOM     29  H   LIG    1       -4.007  -4.278  -2.031  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1       -4.294  -0.236  -0.157  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -2.378  -2.990  -1.629  0.00  0.00    +0.095 A 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8