REMARK  Name = BDB012313
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.088  -0.689   1.541  0.00  0.00    -0.214 N 
ATOM      2  C   LIG    1        1.458  -0.477   1.374  0.00  0.00    +0.076 A 
ATOM      3  C   LIG    1        2.057  -0.932   2.534  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1        1.013  -1.410   3.331  0.00  0.00    +0.135 A 
ATOM      5  N   LIG    1       -0.176  -1.274   2.750  0.00  0.00    -0.173 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1        2.105   0.104   0.204  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.519   1.442   0.222  0.00  0.00    +0.011 A 
ATOM      8  C   LIG    1        3.156   1.996  -0.891  0.00  0.00    +0.016 A 
ATOM      9  C   LIG    1        3.386   1.210  -2.019  0.00  0.00    +0.018 A 
ATOM     10 BR   LIG    1        4.244   1.961  -3.526  0.00  0.00    -0.050 Br
ATOM     11  C   LIG    1        2.990  -0.126  -2.043  0.00  0.00    +0.016 A 
ATOM     12  C   LIG    1        2.353  -0.679  -0.930  0.00  0.00    +0.011 A 
ENDBRANCH   2   6
BRANCH   1  15
ATOM     13  C   LIG    1       -3.326  -0.354   0.145  0.00  0.00    +0.064 A 
ATOM     14  C   LIG    1       -2.289  -0.698   1.012  0.00  0.00    +0.063 A 
ATOM     15  C   LIG    1       -0.990  -0.359   0.649  0.00  0.00    +0.155 A 
ATOM     16  N   LIG    1       -0.717   0.282  -0.519  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1       -1.740   0.576  -1.348  0.00  0.00    +0.114 A 
ATOM     18  C   LIG    1       -3.058   0.282  -1.065  0.00  0.00    +0.035 A 
BRANCH  13  20
ATOM     19  O   LIG    1       -5.013  -1.806   0.963  0.00  0.00    -0.245 OA
ATOM     20  C   LIG    1       -4.708  -0.717   0.516  0.00  0.00    +0.337 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -5.579   0.296   0.331  0.00  0.00    -0.477 OA
ATOM     22  H   LIG    1       -5.170   1.161   0.138  0.00  0.00    +0.295 HD
ENDBRANCH  20  21
ENDBRANCH  13  20
ENDBRANCH   1  15
TORSDOF 4