REMARK  Name = BDB049239
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.088   0.908  -0.263  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -1.077  -0.427   0.550  0.00  0.00    +0.051 C 
ATOM      3  C   LIG    1        0.223  -1.148   0.125  0.00  0.00    +0.094 C 
ATOM      4  N   LIG    1        0.653  -0.444  -1.079  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        0.353   0.961  -0.824  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.305  -1.298   0.334  0.00  0.00    -0.039 A 
ATOM      7  C   LIG    1       -2.668  -1.763  -0.935  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -3.795  -2.560  -1.061  0.00  0.00    +0.111 A 
ATOM      9  N   LIG    1       -4.577  -2.927  -0.024  0.00  0.00    -0.263 NA
ATOM     10  C   LIG    1       -4.207  -2.481   1.194  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -3.098  -1.680   1.422  0.00  0.00    +0.023 A 
ENDBRANCH   2   6
BRANCH   1  13
ATOM     12  C   LIG    1       -1.342   3.335  -0.286  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1       -1.470   2.114   0.519  0.00  0.00    -0.304 NA
ATOM     14  C   LIG    1       -2.847   2.017   1.017  0.00  0.00    +0.104 C 
ENDBRANCH   1  13
BRANCH   4  15
ATOM     15  C   LIG    1        2.001  -0.739  -1.567  0.00  0.00    +0.123 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.171  -0.426  -0.662  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        3.785  -1.362   0.188  0.00  0.00    +0.025 A 
ATOM     18 BR   LIG    1        3.241  -3.182   0.286  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1        4.866  -0.992   1.002  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        5.362   0.311   0.975  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        4.782   1.244   0.124  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        3.708   0.871  -0.681  0.00  0.00    +0.129 A 
ATOM     23  F   LIG    1        3.188   1.796  -1.500  0.00  0.00    -0.205 F 
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 4