REMARK  Name = BDB026807
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.302   0.507   0.340  0.00  0.00    +0.156 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.053   1.925  -0.172  0.00  0.00    -0.023 A 
ATOM      3  C   LIG    1       -1.131   3.069   0.634  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -0.878   4.340   0.107  0.00  0.00    +0.000 A 
ATOM      5  C   LIG    1       -0.537   4.488  -1.235  0.00  0.00    +0.000 A 
ATOM      6  C   LIG    1       -0.444   3.366  -2.052  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1       -0.695   2.098  -1.525  0.00  0.00    +0.005 A 
ENDBRANCH   1   2
BRANCH   1   8
ATOM      8  N   LIG    1       -0.058  -0.222   0.679  0.00  0.00    -0.303 NA
ATOM      9  H   LIG    1        0.588  -0.159  -0.109  0.00  0.00    +0.123 HD
BRANCH   8  10
ATOM     10  C   LIG    1        0.640   0.189   1.902  0.00  0.00    +0.086 C 
BRANCH  10  11
ATOM     11  C   LIG    1        1.762   1.232   1.726  0.00  0.00    +0.050 C 
BRANCH  11  14
ATOM     12  C   LIG    1        4.588  -0.586  -0.104  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        3.627  -0.247   0.855  0.00  0.00    +0.049 A 
ATOM     14  C   LIG    1        2.803   0.875   0.690  0.00  0.00    -0.043 A 
ATOM     15  C   LIG    1        2.962   1.666  -0.453  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        3.917   1.333  -1.413  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.728   0.209  -1.241  0.00  0.00    +0.045 A 
BRANCH  12  19
ATOM     18  C   LIG    1        6.317  -2.085  -0.746  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        5.316  -1.707   0.189  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       -2.398   0.341   1.427  0.00  0.00    +0.186 C 
ATOM     21  O   LIG    1       -2.453   1.070   2.422  0.00  0.00    -0.290 OA
BRANCH  20  22
ATOM     22  C   LIG    1       -3.424  -0.703   1.254  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1       -3.394  -1.962   0.557  0.00  0.00    +0.010 A 
ATOM     24  C   LIG    1       -4.660  -2.542   0.693  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -5.004  -3.775   0.125  0.00  0.00    +0.026 A 
ATOM     26  C   LIG    1       -4.022  -4.457  -0.597  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -2.745  -3.926  -0.734  0.00  0.00    +0.001 A 
ATOM     28  N   LIG    1       -5.419  -1.695   1.464  0.00  0.00    -0.360 N 
ATOM     29  H   LIG    1       -6.376  -1.871   1.738  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1       -2.420  -2.691  -0.161  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1       -4.686  -0.601   1.820  0.00  0.00    +0.095 A 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 8