REMARK  Name = BDB053804
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.936   0.555  -0.853  0.00  0.00    -0.040 A 
ATOM      2  C   LIG    1       -2.656   0.831   0.495  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1       -1.336   0.890   0.958  0.00  0.00    +0.162 A 
ATOM      4  C   LIG    1       -0.273   0.670   0.059  0.00  0.00    +0.162 A 
ATOM      5  C   LIG    1       -0.552   0.388  -1.282  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -1.873   0.328  -1.733  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   3   7
ATOM      7  O   LIG    1       -0.981   1.157   2.257  0.00  0.00    -0.491 OA
ATOM      8  C   LIG    1       -2.025   1.323   3.205  0.00  0.00    +0.277 C 
ENDBRANCH   3   7
BRANCH   1   9
ATOM      9  C   LIG    1       -4.366   0.482  -1.336  0.00  0.00    +0.061 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -6.129  -0.938  -0.240  0.00  0.00    +0.004 C 
ATOM     11  C   LIG    1       -5.020  -0.824  -0.983  0.00  0.00    -0.030 C 
ENDBRANCH   9  11
ENDBRANCH   1   9
BRANCH   4  12
ATOM     12  O   LIG    1        0.991   0.748   0.590  0.00  0.00    -0.488 OA
BRANCH  12  13
ATOM     13  C   LIG    1        2.097   0.536  -0.285  0.00  0.00    +0.229 C 
BRANCH  13  14
ATOM     14  C   LIG    1        3.375   0.686   0.539  0.00  0.00    +0.041 C 
BRANCH  14  15
ATOM     15  C   LIG    1        4.660   0.601  -0.290  0.00  0.00    +0.014 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.899  -0.747  -0.968  0.00  0.00    +0.120 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.137  -1.859   0.019  0.00  0.00    +0.305 C 
ATOM     18  O   LIG    1        5.648  -1.768   1.121  0.00  0.00    -0.251 OA
BRANCH  17  19
ATOM     19  O   LIG    1        4.747  -3.055  -0.461  0.00  0.00    -0.481 OA
ATOM     20  H   LIG    1        4.963  -3.681   0.263  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   4  12
TORSDOF 10