REMARK  Name = BDB045948
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.289   0.202   2.463  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.132  -1.274   0.572  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        2.100  -0.750  -0.216  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        0.937  -0.241   0.372  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.786  -0.256   1.756  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.816  -0.775   2.545  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.980  -1.283   1.962  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        4.397  -1.801  -0.071  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.301  -0.662  -0.578  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        6.747  -1.185  -0.566  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        7.372  -1.565  -1.544  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        7.303  -1.185   0.674  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        6.729  -0.836   1.381  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        4.843  -0.289  -1.880  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        6.465   1.464  -2.451  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        5.016   1.088  -2.205  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.468   0.586   1.751  0.00  0.00    +0.250 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.333  -0.630   1.436  0.00  0.00    +0.163 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.537  -0.266   0.707  0.00  0.00    -0.337 N 
ATOM     20  C   LIG    1       -4.704   0.178   1.300  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -5.602   0.456   0.268  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1       -6.887   0.938   0.597  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -7.235   1.127   1.938  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -6.323   0.843   2.950  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.947   0.162  -0.968  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -5.343   0.243  -2.320  0.00  0.00    +0.010 A 
ATOM     27  C   LIG    1       -4.451  -0.132  -3.329  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -3.177  -0.586  -3.008  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -2.759  -0.676  -1.677  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1       -5.044   0.366   2.651  0.00  0.00    +0.026 A 
ATOM     31  C   LIG    1       -3.661  -0.294  -0.669  0.00  0.00    +0.050 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 10