REMARK  Name = BDB019747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.433  -0.124  -0.452  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.785   0.309   0.082  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -1.805  -0.611   0.393  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.592  -1.982   0.159  0.00  0.00    +0.125 A 
ATOM      5  C   LIG    1       -0.362  -2.411  -0.354  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        0.647  -1.490  -0.656  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.314   0.621  -1.806  0.00  0.00    -0.306 N 
ATOM      8  H   LIG    1        2.251  -0.250  -2.312  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.476   0.893  -0.750  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        1.548   1.913  -0.074  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.459   1.457  -2.100  0.00  0.00    +0.160 C 
BRANCH  11  14
ATOM     12  C   LIG    1        6.102   0.806   0.533  0.00  0.00    +0.123 A 
ATOM     13  C   LIG    1        4.975   1.326  -0.095  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        4.701   0.943  -1.408  0.00  0.00    +0.062 A 
ATOM     15  N   LIG    1        5.476   0.065  -2.094  0.00  0.00    -0.258 NA
ATOM     16  C   LIG    1        6.567  -0.416  -1.461  0.00  0.00    +0.114 A 
ATOM     17  C   LIG    1        6.917  -0.077  -0.167  0.00  0.00    +0.065 A 
BRANCH  12  19
ATOM     18  C   LIG    1        5.676   1.939   2.578  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        6.509   1.077   1.810  0.00  0.00    -0.495 OA
ENDBRANCH  12  19
ENDBRANCH  11  14
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   4  20
ATOM     20  O   LIG    1       -2.628  -2.818   0.483  0.00  0.00    -0.495 OA
ATOM     21  C   LIG    1       -2.523  -4.178   0.084  0.00  0.00    +0.277 C 
ENDBRANCH   4  20
BRANCH   3  22
ATOM     22  C   LIG    1       -3.117  -0.090   0.936  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.973   0.323  -0.162  0.00  0.00    -0.313 N 
ATOM     24  H   LIG    1       -3.479   0.869  -0.859  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -5.203   0.837   0.037  0.00  0.00    +0.176 C 
ATOM     26  N   LIG    1       -5.977   0.277   1.001  0.00  0.00    -0.316 N 
ATOM     27  H   LIG    1       -5.901  -0.733   1.029  0.00  0.00    +0.149 HD
ATOM     28  C   LIG    1       -7.319   0.785   0.807  0.00  0.00    +0.127 C 
ATOM     29  C   LIG    1       -7.058   2.004  -0.083  0.00  0.00    +0.163 C 
ATOM     30  N   LIG    1       -5.703   1.809  -0.669  0.00  0.00    -0.255 NA
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 8