REMARK  Name = BDB028196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.847  -0.105  -0.395  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.558   0.608  -0.591  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -2.619   1.986  -0.775  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.450   2.726  -0.975  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.212   2.079  -0.984  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.120   0.691  -0.788  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -3.926   2.660  -0.742  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.024   3.872  -0.904  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.016   1.856  -0.516  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -5.926   2.304  -0.488  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.312  -0.034  -0.590  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -4.996   0.506  -0.352  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        1.185   0.015  -0.784  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.239   0.446   0.037  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        3.482  -0.205   0.046  0.00  0.00    -0.026 A 
ATOM     16  C   LIG    1        3.604  -1.290  -0.822  0.00  0.00    +0.114 A 
ATOM     17  N   LIG    1        2.626  -1.749  -1.637  0.00  0.00    -0.262 NA
ATOM     18  C   LIG    1        1.448  -1.087  -1.595  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  C   LIG    1        4.622   0.261   0.915  0.00  0.00    +0.021 C 
ATOM     20  C   LIG    1        4.424   0.424   2.405  0.00  0.00    +0.009 C 
ATOM     21  C   LIG    1        5.273  -0.697   1.887  0.00  0.00    +0.009 C 
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  22
ATOM     22  C   LIG    1       -3.859  -1.622  -0.228  0.00  0.00    +0.136 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.457  -1.958   1.139  0.00  0.00    -0.325 NA
ATOM     24  H   LIG    1       -4.119  -1.519   1.784  0.00  0.00    +0.119 HD
ATOM     25  H   LIG    1       -3.570  -2.962   1.279  0.00  0.00    +0.119 HD
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 4