REMARK  Name = BDB012404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.747   0.440  -0.778  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1       -0.071  -0.099  -1.878  0.00  0.00    +0.217 A 
ATOM      3  C   LIG    1        1.230   0.339  -1.791  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1        1.295   1.115  -0.616  0.00  0.00    +0.072 A 
ATOM      5  N   LIG    1        0.105   1.188  -0.014  0.00  0.00    -0.167 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1       -4.347  -0.526  -0.684  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -3.026  -0.435  -1.132  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1       -2.127   0.311  -0.385  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1       -2.521   0.952   0.756  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1       -3.809   0.871   1.145  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1       -4.761   0.146   0.463  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1       -5.351  -1.287  -2.695  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1       -5.305  -1.322  -1.479  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1       -6.088  -2.114  -0.718  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1       -5.825  -2.174   0.220  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -0.638  -0.878  -2.797  0.00  0.00    -0.492 OA
ATOM     17  H   LIG    1        0.042  -1.100  -3.459  0.00  0.00    +0.294 HD
ENDBRANCH   2  16
BRANCH   4  18
ATOM     18  C   LIG    1        2.478   1.836  -0.054  0.00  0.00    +0.098 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.245   0.828   0.752  0.00  0.00    +0.029 A 
ATOM     20  C   LIG    1        3.059   0.714   2.132  0.00  0.00    +0.130 A 
ATOM     21  F   LIG    1        2.209   1.534   2.765  0.00  0.00    -0.205 F 
ATOM     22  C   LIG    1        3.759  -0.228   2.886  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        4.669  -1.080   2.264  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.875  -0.980   0.890  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1        4.167  -0.033   0.151  0.00  0.00    +0.130 A 
ATOM     26  F   LIG    1        4.387   0.045  -1.170  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 6