REMARK  Name = BDB064062
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.577   0.407  -0.102  0.00  0.00    -0.455 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.769   1.035  -0.254  0.00  0.00    +0.347 C 
ATOM      3  O   LIG    1       -1.968   2.231  -0.377  0.00  0.00    -0.245 OA
BRANCH   2   5
ATOM      4  C   LIG    1       -3.408  -0.357   0.978  0.00  0.00    +0.138 A 
ATOM      5  C   LIG    1       -2.819   0.007  -0.245  0.00  0.00    +0.142 A 
ATOM      6  C   LIG    1       -3.220  -0.569  -1.463  0.00  0.00    +0.138 A 
ATOM      7  C   LIG    1       -4.229  -1.534  -1.443  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -4.821  -1.907  -0.234  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1       -4.414  -1.325   0.970  0.00  0.00    +0.047 A 
BRANCH   4  11
ATOM     10  C   LIG    1       -3.581  -0.017   3.335  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1       -2.932   0.264   2.102  0.00  0.00    -0.494 OA
ENDBRANCH   4  11
BRANCH   6  12
ATOM     12  O   LIG    1       -2.570  -0.144  -2.591  0.00  0.00    -0.494 OA
ATOM     13  C   LIG    1       -3.030  -0.638  -3.843  0.00  0.00    +0.277 C 
ENDBRANCH   6  12
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        0.537   1.304  -0.094  0.00  0.00    +0.288 C 
BRANCH  14  15
ATOM     15  C   LIG    1        1.848   0.553   0.080  0.00  0.00    +0.086 A 
ATOM     16  N   LIG    1        2.969   1.349   0.098  0.00  0.00    -0.231 NA
ATOM     17  C   LIG    1        4.123   0.774   0.243  0.00  0.00    +0.141 A 
ATOM     18  N   LIG    1        4.308  -0.595   0.383  0.00  0.00    -0.267 N 
ATOM     19  C   LIG    1        5.581  -1.137   0.534  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1        6.682  -0.372   0.553  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        6.552   1.058   0.412  0.00  0.00    +0.020 A 
ATOM     22 BR   LIG    1        8.391  -1.085   0.755  0.00  0.00    -0.049 Br
ATOM     23  C   LIG    1        3.209  -1.437   0.371  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1        3.246  -2.662   0.486  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1        5.347   1.623   0.264  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1        1.903  -0.779   0.206  0.00  0.00    +0.097 A 
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 6