REMARK  Name = BDB057386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.940   0.833  -0.110  0.00  0.00    +0.232 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        1.646  -0.069  -0.961  0.00  0.00    -0.492 OA
BRANCH   2   7
ATOM      3  C   LIG    1        7.173  -0.725  -0.205  0.00  0.00    +0.071 C 
ATOM      4  C   LIG    1        5.734  -0.644  -0.577  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        5.105   0.283   0.240  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        3.745   0.528   0.178  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1        2.995  -0.186  -0.757  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        3.629  -1.126  -1.591  0.00  0.00    +0.046 A 
ATOM      9  O   LIG    1        5.951   0.912   1.117  0.00  0.00    -0.491 OA
ATOM     10  C   LIG    1        5.004  -1.369  -1.501  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        7.269   0.567   0.626  0.00  0.00    +0.238 C 
BRANCH   3  12
ATOM     12  C   LIG    1        8.140  -0.763  -1.384  0.00  0.00    +0.132 C 
BRANCH  12  14
ATOM     13  O   LIG    1        9.978  -0.822   0.220  0.00  0.00    -0.251 OA
ATOM     14  C   LIG    1        9.567  -0.859  -0.926  0.00  0.00    +0.305 C 
BRANCH  14  15
ATOM     15  O   LIG    1       10.420  -0.988  -1.960  0.00  0.00    -0.481 OA
ATOM     16  H   LIG    1       11.306  -1.039  -1.544  0.00  0.00    +0.295 HD
ENDBRANCH  14  15
ENDBRANCH  12  14
ENDBRANCH   3  12
ENDBRANCH   2   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1       -0.535   0.772  -0.484  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.372   1.687   0.401  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -2.743   1.657   0.006  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1       -3.578   0.749   0.597  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1       -4.934   0.930   0.301  0.00  0.00    +0.054 A 
ATOM     22  C   LIG    1       -5.924   0.081   0.823  0.00  0.00    -0.014 A 
ATOM     23  C   LIG    1       -5.513  -0.971   1.655  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -4.163  -1.166   1.949  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -3.196  -0.308   1.421  0.00  0.00    +0.045 A 
BRANCH  22  26
ATOM     26  C   LIG    1       -7.348   0.288   0.507  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1       -8.135  -0.756  -0.009  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -9.486  -0.560  -0.308  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1      -10.074   0.684  -0.096  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -9.312   1.733   0.413  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -7.961   1.535   0.711  0.00  0.00    +0.008 A 
ENDBRANCH  22  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10