REMARK  Name = BDB058040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.000   1.044  -0.368  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -2.358  -0.178  -0.287  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -1.053  -0.405   0.084  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1       -0.855  -1.777  -0.010  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -2.097  -2.457  -0.457  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -2.304  -3.635  -0.647  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1        0.281  -2.433   0.263  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -3.031  -1.351  -0.627  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -4.346  -1.368  -1.052  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -5.006  -0.141  -1.133  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.342   1.056  -0.794  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        1.535  -1.812   0.705  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1        2.038  -0.642   0.116  0.00  0.00    +0.019 A 
ATOM     14  C   LIG    1        3.257  -0.084   0.536  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        3.977  -0.724   1.555  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        3.494  -1.897   2.136  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        2.283  -2.441   1.707  0.00  0.00    +0.008 A 
BRANCH  14  18
ATOM     18  C   LIG    1        3.764   1.133  -0.085  0.00  0.00    +0.204 A 
ATOM     19  N   LIG    1        4.896   1.766   0.277  0.00  0.00    -0.133 NA
ATOM     20  N   LIG    1        4.882   2.789  -0.589  0.00  0.00    -0.176 N 
ATOM     21  H   LIG    1        5.607   3.500  -0.598  0.00  0.00    +0.214 HD
ATOM     22  N   LIG    1        3.859   2.821  -1.449  0.00  0.00    -0.049 NA
ATOM     23  N   LIG    1        3.129   1.762  -1.135  0.00  0.00    -0.108 NA
ENDBRANCH  14  18
ENDBRANCH   7  12
BRANCH   1  27
ATOM     24  N   LIG    1       -2.623   3.416  -0.696  0.00  0.00    -0.325 N 
ATOM     25  H   LIG    1       -3.081   3.369  -1.595  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -2.038   4.224  -0.517  0.00  0.00    +0.145 HD
ATOM     27  C   LIG    1       -2.301   2.291   0.013  0.00  0.00    +0.245 C 
ATOM     28  O   LIG    1       -1.469   2.323   0.906  0.00  0.00    -0.270 OA
ENDBRANCH   1  27
TORSDOF 3