REMARK  Name = BDB000455
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.035   2.970  -0.678  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.970   1.970  -0.690  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -1.056   1.208   0.477  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -1.963   0.163   0.519  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.229  -0.776   1.652  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -2.981  -1.903   0.928  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -3.719  -1.260  -0.272  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1       -2.804  -0.102  -0.567  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -2.752   0.672  -1.717  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -1.827   1.718  -1.774  0.00  0.00    +0.046 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -5.128  -0.782   0.075  0.00  0.00    +0.128 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -6.066  -1.944   0.221  0.00  0.00    +0.305 C 
ATOM     13  O   LIG    1       -6.521  -2.378   1.266  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -6.393  -2.505  -0.958  0.00  0.00    -0.481 OA
ATOM     15  H   LIG    1       -7.013  -3.227  -0.717  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        0.662   3.145  -1.915  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.081   3.625  -1.616  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.870   2.617  -0.781  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.974   1.390  -1.514  0.00  0.00    -0.488 OA
BRANCH  19  21
ATOM     20  C   LIG    1        3.832   0.009   0.316  0.00  0.00    +0.162 A 
ATOM     21  C   LIG    1        2.895   0.291  -0.693  0.00  0.00    +0.162 A 
ATOM     22  C   LIG    1        1.835  -0.582  -0.947  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        1.662  -1.718  -0.159  0.00  0.00    +0.007 A 
ATOM     24  C   LIG    1        2.559  -1.998   0.878  0.00  0.00    -0.047 A 
ATOM     25  C   LIG    1        2.382  -3.237   1.707  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        3.651  -1.141   1.096  0.00  0.00    +0.052 A 
BRANCH  20  28
ATOM     27  C   LIG    1        5.846   0.604   1.450  0.00  0.00    +0.277 C 
ATOM     28  O   LIG    1        4.876   0.887   0.452  0.00  0.00    -0.491 OA
ENDBRANCH  20  28
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 10