REMARK  Name = BDB049510
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.475   1.982   0.875  0.00  0.00    +0.079 C 
ATOM      2  C   LIG    1       -0.522   0.441   1.104  0.00  0.00    +0.053 C 
ATOM      3  C   LIG    1        0.948  -0.023   1.011  0.00  0.00    +0.094 C 
ATOM      4  N   LIG    1        1.686   1.122   0.461  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        1.028   2.288   1.055  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.412  -0.299   0.132  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -2.482  -1.197   0.458  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.026  -1.664  -0.743  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1       -4.103  -2.565  -0.776  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -4.636  -3.000   0.441  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -4.112  -2.553   1.650  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -2.306  -1.080  -1.761  0.00  0.00    -0.349 N 
ATOM     13  C   LIG    1       -2.533  -1.301  -3.171  0.00  0.00    +0.149 C 
ATOM     14  C   LIG    1       -3.039  -1.656   1.671  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -1.334  -0.267  -1.249  0.00  0.00    +0.090 A 
ENDBRANCH   2   6
BRANCH   1  17
ATOM     16  C   LIG    1       -2.762   2.426   1.602  0.00  0.00    +0.104 C 
ATOM     17  N   LIG    1       -1.349   2.789   1.772  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -1.194   4.224   1.513  0.00  0.00    +0.104 C 
ENDBRANCH   1  17
BRANCH   4  19
ATOM     19  C   LIG    1        3.120   1.089   0.749  0.00  0.00    +0.123 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.844   0.007  -0.018  0.00  0.00    +0.016 A 
ATOM     21  C   LIG    1        4.104   0.074  -1.397  0.00  0.00    +0.028 A 
ATOM     22 BR   LIG    1        3.594   1.567  -2.459  0.00  0.00    -0.050 Br
ATOM     23  C   LIG    1        4.766  -0.972  -2.050  0.00  0.00    +0.061 A 
ATOM     24  C   LIG    1        5.170  -2.093  -1.335  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        4.926  -2.188   0.026  0.00  0.00    +0.084 A 
ATOM     26  C   LIG    1        4.268  -1.141   0.667  0.00  0.00    +0.132 A 
ATOM     27  F   LIG    1        4.038  -1.255   1.984  0.00  0.00    -0.205 F 
BRANCH  24  28
ATOM     28  O   LIG    1        5.810  -3.085  -2.015  0.00  0.00    -0.507 OA
ATOM     29  H   LIG    1        6.016  -3.811  -1.402  0.00  0.00    +0.292 HD
ENDBRANCH  24  28
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 5