REMARK  Name = BDB049233
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.021   0.390   0.664  0.00  0.00    -0.296 NA
ATOM      2  C   LIG    1       -2.055  -0.662  -0.352  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1       -0.672  -0.524  -1.020  0.00  0.00    +0.079 C 
ATOM      4  C   LIG    1        0.240  -0.375   0.226  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -0.654   0.428   1.203  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        1.629   0.220   0.069  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        2.446   0.351   1.209  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        3.734   0.884   1.116  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        4.232   1.275  -0.128  0.00  0.00    +0.037 A 
ATOM     10  C   LIG    1        3.434   1.168  -1.267  0.00  0.00    +0.013 A 
ATOM     11  C   LIG    1        2.146   0.632  -1.169  0.00  0.00    +0.005 A 
BRANCH   9  12
ATOM     12  C   LIG    1        5.586   1.863  -0.250  0.00  0.00    +0.246 C 
ATOM     13  N   LIG    1        6.676   1.162   0.266  0.00  0.00    -0.304 N 
ATOM     14  C   LIG    1        6.686  -0.272   0.521  0.00  0.00    +0.132 C 
ATOM     15  C   LIG    1        7.971   1.818   0.263  0.00  0.00    +0.132 C 
ATOM     16  O   LIG    1        5.682   2.962  -0.791  0.00  0.00    -0.270 OA
ENDBRANCH   9  12
ENDBRANCH   4   6
BRANCH   3  17
ATOM     17  N   LIG    1       -0.277  -1.556  -2.005  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -1.088  -1.458  -3.221  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -0.291  -2.927  -1.503  0.00  0.00    +0.104 C 
ENDBRANCH   3  17
BRANCH   1  20
ATOM     20  C   LIG    1       -3.048   0.286   1.700  0.00  0.00    +0.122 C 
BRANCH  20  23
ATOM     21  C   LIG    1       -5.128  -1.919   1.387  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -5.410  -0.489   1.019  0.00  0.00    -0.043 A 
ATOM     23  C   LIG    1       -4.448   0.534   1.179  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -4.807   1.848   0.837  0.00  0.00    +0.128 A 
ATOM     25  F   LIG    1       -3.931   2.849   1.008  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -6.067   2.159   0.335  0.00  0.00    +0.039 A 
ATOM     27  C   LIG    1       -7.006   1.150   0.166  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1       -6.681  -0.163   0.509  0.00  0.00    +0.004 A 
ENDBRANCH  20  23
ENDBRANCH   1  20
TORSDOF 5