REMARK  Name = BDB062225
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.034   2.050  -2.467  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.579   1.123  -1.371  0.00  0.00    -0.013 C 
ATOM      3  C   LIG    1       -0.306   0.710  -1.218  0.00  0.00    +0.133 C 
ATOM      4  C   LIG    1        0.846   1.117  -2.080  0.00  0.00    +0.269 C 
ATOM      5  O   LIG    1        0.874   1.845  -3.052  0.00  0.00    -0.268 OA
ATOM      6  N   LIG    1        1.888   0.472  -1.502  0.00  0.00    -0.253 N 
ATOM      7  H   LIG    1        2.826   0.481  -1.862  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1        1.445  -0.229  -0.433  0.00  0.00    +0.192 C 
ATOM      9  N   LIG    1        0.165  -0.135  -0.227  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -2.637   0.696  -0.425  0.00  0.00    -0.016 A 
ATOM     11  C   LIG    1       -2.911  -0.666  -0.217  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1       -3.921  -1.002   0.660  0.00  0.00    +0.167 A 
ATOM     13  O   LIG    1       -4.313  -2.267   0.974  0.00  0.00    -0.453 OA
ATOM     14  C   LIG    1       -5.374  -1.996   1.913  0.00  0.00    +0.466 C 
ATOM     15  O   LIG    1       -5.600  -0.589   2.136  0.00  0.00    -0.453 OA
ATOM     16  C   LIG    1       -4.656  -0.047   1.322  0.00  0.00    +0.166 A 
ATOM     17  C   LIG    1       -4.422   1.298   1.144  0.00  0.00    +0.050 A 
ATOM     18  C   LIG    1       -3.403   1.669   0.260  0.00  0.00    +0.012 A 
ENDBRANCH   2  10
BRANCH   8  19
ATOM     19  N   LIG    1        2.268  -1.004   0.324  0.00  0.00    -0.287 N 
ATOM     20  H   LIG    1        1.773  -1.546   1.025  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.624  -0.806   0.637  0.00  0.00    +0.033 A 
ATOM     22  C   LIG    1        4.287   0.417   0.475  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        5.649   0.541   0.768  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.370  -0.560   1.222  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.729  -1.784   1.387  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.368  -1.904   1.096  0.00  0.00    +0.023 A 
ENDBRANCH  19  21
ENDBRANCH   8  19
TORSDOF 3