REMARK  Name = BDB053327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.997   1.403  -1.847  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        2.520   1.139  -0.613  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        1.972   0.303   0.359  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        2.624   0.124   1.584  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        3.831   0.780   1.854  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1        4.372   1.626   0.881  0.00  0.00    +0.007 A 
ATOM      7  C   LIG    1        3.718   1.802  -0.340  0.00  0.00    +0.046 A 
BRANCH   5   8
ATOM      8  C   LIG    1        4.556   0.549   3.158  0.00  0.00    +0.046 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.737  -0.402   3.004  0.00  0.00    +0.125 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.287  -1.835   2.884  0.00  0.00    +0.305 C 
ATOM     11  O   LIG    1        5.204  -2.601   3.833  0.00  0.00    -0.251 OA
BRANCH  10  12
ATOM     12  O   LIG    1        4.970  -2.206   1.626  0.00  0.00    -0.481 OA
ATOM     13  H   LIG    1        5.012  -1.476   0.975  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        0.822   0.704  -2.261  0.00  0.00    +0.232 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -0.432   1.447  -1.819  0.00  0.00    +0.082 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -1.695   0.711  -2.245  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -2.822   1.488  -1.820  0.00  0.00    -0.490 OA
BRANCH  17  23
ATOM     18  C   LIG    1       -7.191  -1.748  -0.202  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1       -6.030  -0.913  -0.657  0.00  0.00    -0.049 A 
ATOM     20  C   LIG    1       -5.834  -0.637  -2.019  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -4.763   0.161  -2.434  0.00  0.00    +0.083 A 
ATOM     22 CL   LIG    1       -4.581   0.481  -4.120  0.00  0.00    -0.080 Cl
ATOM     23  C   LIG    1       -3.879   0.682  -1.486  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1       -4.089   0.443  -0.127  0.00  0.00    +0.047 A 
ATOM     25  C   LIG    1       -5.159  -0.354   0.285  0.00  0.00    +0.007 A 
ENDBRANCH  17  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 10