REMARK  Name = BDB030261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.216   0.982   0.338  0.00  0.00    +0.267 C 
ATOM      2  N   LIG    1        0.108   0.644   0.592  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.687  -0.695   0.620  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1        2.141  -0.466   0.885  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1        3.008   0.287  -0.102  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        2.368   0.992   1.075  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.055   1.691   0.938  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1       -1.564   2.167   0.358  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        4.459   0.063  -0.120  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1        5.419   1.183  -0.196  0.00  0.00    +0.104 C 
ATOM     11  C   LIG    1        6.671   0.407   0.175  0.00  0.00    +0.138 C 
ATOM     12  C   LIG    1        7.875   0.844  -0.654  0.00  0.00    +0.058 C 
ATOM     13  C   LIG    1        6.989   0.490   1.670  0.00  0.00    +0.058 C 
ATOM     14  O   LIG    1        6.368  -0.964  -0.151  0.00  0.00    -0.387 OA
ATOM     15  N   LIG    1        4.960  -1.125  -0.118  0.00  0.00    -0.093 NA
ENDBRANCH   5   9
BRANCH   1  20
ATOM     16  C   LIG    1       -4.152  -1.062  -0.497  0.00  0.00    +0.040 A 
ATOM     17  N   LIG    1       -3.151  -1.961  -0.267  0.00  0.00    -0.281 N 
ATOM     18  H   LIG    1       -3.200  -2.974  -0.314  0.00  0.00    +0.189 HD
ATOM     19  N   LIG    1       -1.977  -1.399   0.057  0.00  0.00    -0.169 NA
ATOM     20  C   LIG    1       -2.213  -0.073   0.039  0.00  0.00    +0.147 A 
ATOM     21  C   LIG    1       -3.575   0.173  -0.302  0.00  0.00    +0.057 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -5.752  -1.242  -2.378  0.00  0.00    +0.014 C 
ATOM     23  C   LIG    1       -5.543  -1.480  -0.878  0.00  0.00    +0.037 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -6.592  -0.865   0.026  0.00  0.00    -0.002 C 
ATOM     25  C   LIG    1       -7.221   0.482  -0.238  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1       -8.053  -0.768  -0.347  0.00  0.00    +0.004 C 
ENDBRANCH  23  24
ENDBRANCH  16  23
ENDBRANCH   1  20
TORSDOF 4