REMARK  Name = BDB059643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.968   0.814   0.324  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -3.397   0.596  -0.122  0.00  0.00    +0.279 A 
ATOM      3  O   LIG    1       -4.305   1.401   0.037  0.00  0.00    -0.265 OA
ATOM      4  N   LIG    1       -3.639  -0.636  -0.752  0.00  0.00    -0.179 N 
ATOM      5  C   LIG    1       -2.684  -1.608  -0.962  0.00  0.00    +0.156 A 
ATOM      6  C   LIG    1       -3.315  -2.648  -1.599  0.00  0.00    +0.114 A 
ATOM      7  C   LIG    1       -4.649  -2.226  -1.737  0.00  0.00    +0.156 A 
ATOM      8  N   LIG    1       -1.427  -1.367  -0.533  0.00  0.00    -0.338 N 
ATOM      9  H   LIG    1       -0.675  -2.051  -0.633  0.00  0.00    +0.167 HD
ATOM     10  N   LIG    1       -4.860  -1.009  -1.227  0.00  0.00    -0.169 NA
ATOM     11  C   LIG    1       -1.068  -0.183   0.106  0.00  0.00    +0.060 A 
ENDROOT
BRANCH  11  12
ATOM     12  C   LIG    1        0.303  -0.094   0.508  0.00  0.00    +0.036 A 
ATOM     13  C   LIG    1        1.392  -0.081  -0.333  0.00  0.00    +0.118 A 
ATOM     14  N   LIG    1        2.492  -0.022   0.481  0.00  0.00    -0.268 N 
ATOM     15  N   LIG    1        2.183   0.031   1.790  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        0.849  -0.040   1.807  0.00  0.00    +0.144 A 
BRANCH  14  17
ATOM     17  C   LIG    1        3.873   0.094  -0.022  0.00  0.00    +0.107 C 
ATOM     18  C   LIG    1        4.951  -0.480   0.935  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1        5.660  -1.026  -0.322  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        4.274  -1.041  -1.000  0.00  0.00    +0.027 C 
ENDBRANCH  14  17
ENDBRANCH  11  12
BRANCH   1  22
ATOM     21  C   LIG    1       -1.923   3.344   0.031  0.00  0.00    +0.012 C 
ATOM     22  C   LIG    1       -1.654   2.161   0.968  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -2.363   2.341   2.312  0.00  0.00    +0.012 C 
ENDBRANCH   1  22
BRANCH   6  24
ATOM     24  C   LIG    1       -2.738  -3.875  -2.025  0.00  0.00    +0.104 C 
ATOM     25  N   LIG    1       -2.252  -4.871  -2.368  0.00  0.00    -0.191 NA
ENDBRANCH   6  24
TORSDOF 4