REMARK  Name = BDB012309
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.811  -1.950   0.276  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1       -0.317  -1.528  -0.446  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1       -1.281  -2.496  -0.240  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -0.673  -3.469   0.558  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        0.584  -3.169   0.857  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        3.594   0.547   0.215  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        2.336  -0.026  -0.012  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        2.088  -1.305   0.467  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        3.044  -1.996   1.153  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        4.247  -1.423   1.355  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        4.571  -0.161   0.908  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        3.027   2.610  -0.881  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        3.837   1.916  -0.295  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        5.085   2.351  -0.047  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        5.105   3.252  -0.434  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -0.321  -0.391  -1.155  0.00  0.00    -0.471 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.525  -0.031  -1.838  0.00  0.00    +0.266 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.512   0.657  -0.925  0.00  0.00    -0.008 A 
ATOM     19  C   LIG    1       -3.869   0.309  -0.955  0.00  0.00    +0.045 A 
ATOM     20  C   LIG    1       -4.773   0.962  -0.122  0.00  0.00    +0.124 A 
ATOM     21  F   LIG    1       -6.066   0.616  -0.157  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1       -4.357   1.967   0.742  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1       -3.012   2.331   0.773  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1       -2.096   1.682  -0.059  0.00  0.00    +0.007 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 6