REMARK  Name = BDB049509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.790   0.650  -0.586  0.00  0.00    +0.080 C 
ATOM      2  C   LIG    1       -1.374   0.373   0.823  0.00  0.00    +0.070 C 
ATOM      3  C   LIG    1       -0.238  -0.332   1.590  0.00  0.00    +0.096 C 
ATOM      4  N   LIG    1        0.935  -0.331   0.708  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1        0.715   0.754  -0.250  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -2.645  -0.446   0.878  0.00  0.00    +0.047 A 
ATOM      7  N   LIG    1       -2.775  -1.489   0.023  0.00  0.00    -0.260 NA
ATOM      8  C   LIG    1       -3.901  -2.231   0.102  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -4.920  -1.990   1.005  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1       -4.776  -0.924   1.883  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.624  -0.143   1.825  0.00  0.00    +0.024 A 
ENDBRANCH   2   6
BRANCH   1  13
ATOM     12  C   LIG    1       -0.623   2.105  -2.536  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1       -1.319   1.868  -1.266  0.00  0.00    -0.304 NA
ATOM     14  C   LIG    1       -2.757   1.747  -1.533  0.00  0.00    +0.104 C 
ENDBRANCH   1  13
BRANCH   4  15
ATOM     15  C   LIG    1        2.195  -0.229   1.446  0.00  0.00    +0.123 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.409  -0.466   0.581  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        3.795  -1.733   0.115  0.00  0.00    +0.025 A 
ATOM     18 BR   LIG    1        2.839  -3.316   0.553  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1        4.928  -1.882  -0.698  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        5.690  -0.772  -1.059  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        5.321   0.490  -0.607  0.00  0.00    +0.039 A 
ATOM     22  C   LIG    1        4.194   0.631   0.201  0.00  0.00    +0.129 A 
ATOM     23  F   LIG    1        3.866   1.864   0.615  0.00  0.00    -0.205 F 
ENDBRANCH  15  16
ENDBRANCH   4  15
TORSDOF 4