REMARK  Name = BDB059731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.994   1.414  -0.450  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -5.835   1.045  -0.614  0.00  0.00    +0.248 C 
ATOM      3  C   LIG    1       -5.386  -0.240  -0.058  0.00  0.00    +0.080 A 
ATOM      4  C   LIG    1       -4.059  -0.636   0.127  0.00  0.00    +0.084 A 
ATOM      5  C   LIG    1       -3.737  -1.871   0.685  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1       -4.761  -2.743   1.067  0.00  0.00    +0.140 A 
ATOM      7  N   LIG    1       -6.061  -2.385   0.908  0.00  0.00    -0.260 NA
ATOM      8  N   LIG    1       -2.377  -2.028   0.768  0.00  0.00    -0.226 NA
ATOM      9  C   LIG    1       -1.844  -0.904   0.325  0.00  0.00    +0.142 A 
ATOM     10  N   LIG    1       -2.838  -0.057  -0.131  0.00  0.00    -0.321 N 
ATOM     11  C   LIG    1       -2.639   1.201  -0.824  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -3.696   1.472  -1.886  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1       -6.336  -1.168   0.371  0.00  0.00    +0.126 A 
ATOM     14  N   LIG    1       -4.979   1.845  -1.326  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1       -5.453   2.652  -1.718  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   9  16
ATOM     16  C   LIG    1       -0.407  -0.630   0.288  0.00  0.00    +0.018 A 
ATOM     17  C   LIG    1        0.462  -1.561  -0.279  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        1.841  -1.313  -0.331  0.00  0.00    +0.024 A 
ATOM     19  C   LIG    1        2.408  -0.139   0.191  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        1.516   0.771   0.780  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1        0.134   0.534   0.835  0.00  0.00    +0.013 A 
BRANCH  19  22
ATOM     22  N   LIG    1        3.769   0.101   0.136  0.00  0.00    -0.327 N 
ATOM     23  C   LIG    1        4.424   1.087   1.013  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        5.907   0.719   1.245  0.00  0.00    +0.100 C 
ATOM     25  N   LIG    1        6.728   0.604   0.025  0.00  0.00    -0.313 NA
ATOM     26  H   LIG    1        7.440  -0.108   0.186  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1        5.907   0.227  -1.139  0.00  0.00    +0.100 C 
ATOM     28  C   LIG    1        4.638  -0.599  -0.824  0.00  0.00    +0.120 C 
ENDBRANCH  19  22
ENDBRANCH   9  16
TORSDOF 2