REMARK  Name = BDB059079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.466   0.658   1.210  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.635  -0.531   1.490  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -0.137  -0.179   1.412  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1        0.244   0.300   0.067  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.841   0.911  -0.719  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -1.936   1.554   0.161  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        1.563   0.237  -0.327  0.00  0.00    +0.199 A 
ATOM      8  N   LIG    1        1.860   0.472  -1.642  0.00  0.00    -0.295 N 
ATOM      9  H   LIG    1        1.129   0.624  -2.312  0.00  0.00    +0.172 HD
ATOM     10  C   LIG    1        3.118   0.400  -2.158  0.00  0.00    +0.256 A 
ATOM     11  O   LIG    1        3.341   0.554  -3.355  0.00  0.00    -0.267 OA
ATOM     12  C   LIG    1        4.186   0.115  -1.184  0.00  0.00    +0.038 A 
ATOM     13  C   LIG    1        5.603   0.085  -1.670  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1        6.621   0.101  -0.528  0.00  0.00    +0.005 C 
ATOM     15  C   LIG    1        6.191  -0.827   0.603  0.00  0.00    +0.006 C 
ATOM     16  C   LIG    1        4.823  -0.421   1.157  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1        3.807  -0.096   0.087  0.00  0.00    +0.053 A 
ATOM     18  N   LIG    1        2.505  -0.050   0.522  0.00  0.00    -0.220 NA
ENDBRANCH   4   7
BRANCH   1  20
ATOM     19  C   LIG    1       -4.482  -0.189  -0.015  0.00  0.00    +0.141 A 
ATOM     20  C   LIG    1       -3.837   0.340   1.128  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1       -4.596   0.544   2.294  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -5.960   0.258   2.332  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -6.589  -0.245   1.200  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -5.856  -0.468   0.032  0.00  0.00    +0.047 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -4.287  -1.090  -2.220  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -3.698  -0.407  -1.122  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
ENDBRANCH   1  20
TORSDOF 3