REMARK  Name = BDB054906
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.163  -0.274  -0.341  0.00  0.00    -0.004 C 
ATOM      2  C   LIG    1        0.087  -0.522  -0.765  0.00  0.00    -0.027 C 
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.791   0.387   1.422  0.00  0.00    +0.004 C 
ATOM      4  C   LIG    1       -1.540   0.188   0.975  0.00  0.00    -0.002 C 
BRANCH   3   5
ATOM      5  C   LIG    1       -4.092   0.160   0.707  0.00  0.00    +0.137 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -4.890  -0.671   1.544  0.00  0.00    -0.388 OA
ATOM      7  H   LIG    1       -4.377  -1.484   1.696  0.00  0.00    +0.210 HD
ENDBRANCH   5   6
BRANCH   5   8
ATOM      8  C   LIG    1       -4.823   1.485   0.465  0.00  0.00    +0.035 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.191   1.335  -0.215  0.00  0.00    +0.003 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -6.180   0.660  -1.590  0.00  0.00    -0.000 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -5.619   2.744  -2.950  0.00  0.00    +0.004 C 
ATOM     12  C   LIG    1       -5.262   1.300  -2.634  0.00  0.00    -0.003 C 
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   3   5
ENDBRANCH   1   4
BRANCH   2  13
ATOM     13  C   LIG    1        1.376  -0.427   0.005  0.00  0.00    +0.027 C 
BRANCH  13  14
ATOM     14  C   LIG    1        2.214   0.759  -0.471  0.00  0.00    +0.004 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.490   0.995   0.345  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1        4.519  -0.138   0.262  0.00  0.00    +0.000 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.455  -1.089   1.461  0.00  0.00    +0.001 C 
BRANCH  17  18
ATOM     18  C   LIG    1        5.376  -2.304   1.319  0.00  0.00    +0.011 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.861  -1.944   1.292  0.00  0.00    +0.120 C 
BRANCH  19  20
ATOM     20  C   LIG    1        7.739  -3.175   1.282  0.00  0.00    +0.305 C 
ATOM     21  O   LIG    1        7.342  -4.328   1.232  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1        9.056  -2.865   1.327  0.00  0.00    -0.481 OA
ATOM     23  H   LIG    1        9.233  -1.906   1.359  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   2  13
TORSDOF 16