REMARK  Name = BDB031272
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.608  -0.574   1.222  0.00  0.00    +0.039 A 
ATOM      2  C   LIG    1        2.963   0.661   1.073  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.641   0.681   0.599  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        0.852   1.763   0.348  0.00  0.00    -0.226 NA
ATOM      5  C   LIG    1       -0.310   1.278  -0.053  0.00  0.00    +0.166 A 
ATOM      6  N   LIG    1       -0.282  -0.111  -0.138  0.00  0.00    -0.291 N 
ATOM      7  C   LIG    1        0.977  -0.508   0.315  0.00  0.00    +0.074 A 
ATOM      8  C   LIG    1        1.617  -1.753   0.442  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        2.936  -1.762   0.914  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.295  -0.986  -0.623  0.00  0.00    +0.051 A 
ATOM     11  C   LIG    1       -1.571  -2.178   0.068  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -2.541  -2.992  -0.468  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -3.222  -2.670  -1.640  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -4.129  -3.690  -1.903  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -4.775  -3.750  -2.673  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -4.025  -4.657  -0.893  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -4.671  -5.685  -0.800  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -2.972  -1.515  -2.339  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -3.032  -4.209  -0.009  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -2.754  -4.710   0.819  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -1.989  -0.663  -1.817  0.00  0.00    +0.028 A 
ENDBRANCH   6  10
BRANCH   5  22
ATOM     22  C   LIG    1       -1.538   2.229  -0.272  0.00  0.00    +0.124 A 
ATOM     23  N   LIG    1       -2.819   1.841  -0.575  0.00  0.00    -0.233 NA
ATOM     24  C   LIG    1       -3.517   2.954  -0.634  0.00  0.00    +0.199 A 
ATOM     25  N   LIG    1       -2.736   4.043  -0.380  0.00  0.00    -0.339 N 
ATOM     26  C   LIG    1       -3.187   5.411  -0.358  0.00  0.00    +0.150 C 
ATOM     27  C   LIG    1       -1.468   3.601  -0.145  0.00  0.00    +0.118 A 
ENDBRANCH   5  22
BRANCH   1  31
ATOM     28  C   LIG    1        7.221   0.382   1.823  0.00  0.00    +0.128 C 
ATOM     29  N   LIG    1        5.821   0.425   1.483  0.00  0.00    -0.314 N 
ATOM     30  H   LIG    1        5.523   1.117   0.809  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1        5.009  -0.666   1.720  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1        5.396  -1.688   2.275  0.00  0.00    -0.270 OA
ENDBRANCH   1  31
TORSDOF 3