REMARK  Name = BDB000451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.331  -0.089   1.282  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.645  -0.404   1.074  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -2.528   0.661   1.285  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -3.886   0.460   1.098  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -4.981   1.470   1.212  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -6.224   0.567   1.260  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -5.870  -0.753   0.537  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1       -4.378  -0.785   0.699  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -3.519  -1.851   0.491  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -2.146  -1.655   0.684  0.00  0.00    +0.046 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -6.357  -0.854  -0.908  0.00  0.00    +0.128 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.835   0.212  -1.842  0.00  0.00    +0.305 C 
ATOM     13  O   LIG    1       -4.804   0.115  -2.490  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -6.632   1.302  -1.920  0.00  0.00    -0.481 OA
ATOM     15  H   LIG    1       -7.446   1.249  -1.388  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        0.677  -1.024   0.897  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.949  -0.988  -0.609  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.429   0.384  -1.084  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.668   0.742  -0.473  0.00  0.00    -0.492 OA
BRANCH  19  21
ATOM     20  C   LIG    1        5.016   0.869  -0.453  0.00  0.00    -0.006 A 
ATOM     21  C   LIG    1        3.847   0.366  -1.059  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1        3.959  -0.466  -2.177  0.00  0.00    +0.046 A 
ATOM     23  C   LIG    1        5.214  -0.794  -2.697  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        6.368  -0.295  -2.104  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.271   0.531  -0.988  0.00  0.00    +0.007 A 
BRANCH  20  26
ATOM     26  C   LIG    1        4.954   1.764   0.767  0.00  0.00    +0.038 C 
BRANCH  26  28
ATOM     27  C   LIG    1        5.824   0.102   2.498  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1        4.681   1.015   2.075  0.00  0.00    +0.001 C 
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 11