REMARK  Name = BDB000443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.811  -0.458  -2.000  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.063  -0.490  -1.448  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -2.391  -1.009  -0.193  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -3.717  -0.968   0.215  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -4.289  -1.432   1.518  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -5.784  -1.508   1.174  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -6.053  -0.443   0.084  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1       -4.710  -0.405  -0.594  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -4.399   0.116  -1.838  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -3.068   0.067  -2.260  0.00  0.00    +0.046 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -6.426   0.923   0.654  0.00  0.00    +0.128 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -7.824   0.911   1.195  0.00  0.00    +0.305 C 
ATOM     13  O   LIG    1       -8.143   0.817   2.368  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -8.760   0.999   0.232  0.00  0.00    -0.481 OA
ATOM     15  H   LIG    1       -9.610   0.983   0.720  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.255  -1.008  -1.224  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.552  -0.875  -2.020  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.972   0.584  -2.208  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.218   1.223  -0.956  0.00  0.00    -0.492 OA
BRANCH  19  23
ATOM     20  C   LIG    1        5.898   1.077   1.018  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        5.756   0.373  -0.177  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.539   0.395  -0.876  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        3.454   1.120  -0.385  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        3.597   1.817   0.815  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        4.808   1.795   1.511  0.00  0.00    +0.049 A 
BRANCH  20  26
ATOM     26  O   LIG    1        7.017   1.137   1.798  0.00  0.00    -0.492 OA
BRANCH  26  28
ATOM     27  C   LIG    1        8.344  -0.891   1.724  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1        8.230   0.566   1.310  0.00  0.00    +0.225 C 
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH  19  23
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 11