REMARK  Name = BDB049218
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.381   1.111  -0.093  0.00  0.00    +0.075 C 
ATOM      2  C   LIG    1       -1.093  -0.101   0.560  0.00  0.00    +0.025 C 
ATOM      3  C   LIG    1       -0.175  -1.250   0.118  0.00  0.00    +0.090 C 
ATOM      4  N   LIG    1        1.173  -0.729   0.331  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        1.110   0.729   0.163  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.590  -0.344   0.258  0.00  0.00    -0.001 C 
ATOM      7  C   LIG    1       -3.117  -1.619   0.946  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1       -4.600  -1.815   0.650  0.00  0.00    +0.160 C 
ATOM      9  O   LIG    1       -4.825  -1.876  -0.757  0.00  0.00    -0.380 OA
ATOM     10  C   LIG    1       -4.443  -0.670  -1.415  0.00  0.00    +0.160 C 
ATOM     11  C   LIG    1       -2.951  -0.404  -1.235  0.00  0.00    +0.032 C 
ENDBRANCH   2   6
BRANCH   1  13
ATOM     12  C   LIG    1        0.263   3.467   0.176  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1       -0.788   2.458   0.383  0.00  0.00    -0.304 NA
ATOM     14  C   LIG    1       -1.999   2.946  -0.286  0.00  0.00    +0.104 C 
ENDBRANCH   1  13
BRANCH   4  15
ATOM     15  C   LIG    1        2.177  -1.397  -0.496  0.00  0.00    +0.123 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.593  -1.103  -0.058  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        4.168  -1.630   1.109  0.00  0.00    +0.025 A 
ATOM     18 BR   LIG    1        3.229  -2.811   2.267  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1        5.486  -1.310   1.466  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        6.249  -0.463   0.663  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        5.696   0.065  -0.497  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        4.385  -0.257  -0.845  0.00  0.00    +0.129 A 
ATOM     23  F   LIG    1        3.884   0.272  -1.972  0.00  0.00    -0.205 F 
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 4