REMARK  Name = BDB003160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.503  -0.087   0.533  0.00  0.00    +0.124 A 
ATOM      2  C   LIG    1       -2.536   0.060  -0.460  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1       -1.215   0.313  -0.087  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.830   0.423   1.244  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        0.566   0.676   1.554  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        1.467   0.804   0.567  0.00  0.00    +0.107 A 
ATOM      7  C   LIG    1        1.067   0.748  -0.856  0.00  0.00    +0.348 A 
ATOM      8  O   LIG    1        1.859   0.943  -1.770  0.00  0.00    -0.244 OA
ATOM      9  C   LIG    1       -1.798   0.276   2.236  0.00  0.00    +0.015 A 
ATOM     10  O   LIG    1       -0.270   0.462  -1.120  0.00  0.00    -0.422 OA
ATOM     11  C   LIG    1       -3.127   0.022   1.877  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1        2.868   1.062   0.993  0.00  0.00    +0.200 C 
ATOM     13  O   LIG    1        3.112   1.817   1.933  0.00  0.00    -0.286 OA
BRANCH  12  14
ATOM     14  C   LIG    1        3.986   0.372   0.300  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        3.856  -0.924  -0.216  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        4.948  -1.542  -0.831  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.171  -0.877  -0.919  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.310   0.404  -0.388  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.223   1.026   0.227  0.00  0.00    +0.012 A 
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  20
ATOM     20  O   LIG    1       -4.832  -0.336   0.333  0.00  0.00    -0.492 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -6.773  -0.701  -1.000  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1       -5.278  -0.437  -1.019  0.00  0.00    +0.225 C 
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 4