REMARK  Name = BDB000447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.345   1.177  -0.766  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.360   1.673   0.053  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1       -3.378   0.811   0.441  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -4.536   1.124   1.336  0.00  0.00    +0.036 C 
ATOM      5  C   LIG    1       -5.478  -0.039   1.003  0.00  0.00    +0.013 C 
ATOM      6  C   LIG    1       -4.578  -1.245   0.647  0.00  0.00    +0.030 C 
ATOM      7  C   LIG    1       -3.399  -0.531   0.039  0.00  0.00    -0.040 A 
ATOM      8  C   LIG    1       -2.391  -1.033  -0.766  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -1.370  -0.168  -1.172  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1  10
ATOM     10  O   LIG    1       -0.281   1.891  -1.244  0.00  0.00    -0.492 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -0.087   3.203  -0.724  0.00  0.00    +0.232 C 
BRANCH  11  12
ATOM     12  C   LIG    1        1.222   3.782  -1.264  0.00  0.00    +0.082 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.462   3.120  -0.660  0.00  0.00    +0.232 C 
BRANCH  13  14
ATOM     14  O   LIG    1        2.562   1.776  -1.122  0.00  0.00    -0.492 OA
BRANCH  14  20
ATOM     15  C   LIG    1        6.363  -1.820   1.095  0.00  0.00    +0.044 C 
ATOM     16  C   LIG    1        5.360  -0.864   0.513  0.00  0.00    -0.047 A 
ATOM     17  C   LIG    1        4.304  -1.312  -0.303  0.00  0.00    -0.044 A 
ATOM     18  C   LIG    1        4.124  -2.769  -0.629  0.00  0.00    +0.044 C 
ATOM     19  C   LIG    1        3.396  -0.376  -0.823  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        3.516   0.988  -0.543  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        4.566   1.428   0.257  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        5.479   0.508   0.781  0.00  0.00    +0.007 A 
ENDBRANCH  14  20
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  23
ATOM     23  C   LIG    1       -5.311  -2.234  -0.254  0.00  0.00    +0.128 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.673  -3.600  -0.233  0.00  0.00    +0.305 C 
ATOM     25  O   LIG    1       -4.023  -4.069  -1.154  0.00  0.00    -0.251 OA
BRANCH  24  26
ATOM     26  O   LIG    1       -4.901  -4.285   0.911  0.00  0.00    -0.481 OA
ATOM     27  H   LIG    1       -5.451  -3.811   1.562  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 9