REMARK  Name = BDB045944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.488  -1.370  -0.577  0.00  0.00    +0.248 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -0.489  -2.031  -1.362  0.00  0.00    -0.490 OA
BRANCH   2   6
ATOM      3  C   LIG    1        3.503  -0.800  -1.436  0.00  0.00    -0.044 A 
ATOM      4  C   LIG    1        2.642  -0.235  -0.487  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1        1.298  -0.618  -0.423  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.796  -1.568  -1.309  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1        1.656  -2.142  -2.248  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        2.999  -1.764  -2.315  0.00  0.00    +0.007 A 
BRANCH   3   9
ATOM      9  C   LIG    1        4.961  -0.398  -1.487  0.00  0.00    +0.078 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.800  -1.119  -0.420  0.00  0.00    +0.230 C 
BRANCH  10  11
ATOM     11  C   LIG    1        7.256  -1.094  -0.893  0.00  0.00    +0.334 C 
ATOM     12  O   LIG    1        7.736  -1.820  -1.751  0.00  0.00    -0.248 OA
BRANCH  11  13
ATOM     13  O   LIG    1        8.019  -0.151  -0.306  0.00  0.00    -0.479 OA
ATOM     14  H   LIG    1        8.899  -0.249  -0.725  0.00  0.00    +0.295 HD
ENDBRANCH  11  13
ENDBRANCH  10  11
BRANCH  10  15
ATOM     15  O   LIG    1        5.571  -0.485   0.842  0.00  0.00    -0.365 OA
BRANCH  15  17
ATOM     16  C   LIG    1        5.717  -0.517   3.221  0.00  0.00    +0.034 C 
ATOM     17  C   LIG    1        5.972  -1.294   1.945  0.00  0.00    +0.157 C 
ENDBRANCH  15  17
ENDBRANCH  10  15
ENDBRANCH   9  10
ENDBRANCH   3   9
ENDBRANCH   2   6
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1       -1.995  -0.099  -1.282  0.00  0.00    +0.152 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.128   0.527  -0.565  0.00  0.00    -0.296 N 
ATOM     20  C   LIG    1       -4.223   1.008  -1.324  0.00  0.00    +0.037 A 
ATOM     21  C   LIG    1       -5.537   1.093  -0.807  0.00  0.00    -0.026 A 
ATOM     22  C   LIG    1       -6.571   1.623  -1.617  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -6.334   2.057  -2.917  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.052   1.982  -3.432  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -5.971   0.666   0.583  0.00  0.00    +0.042 C 
ATOM     26  C   LIG    1       -5.034  -0.223   1.395  0.00  0.00    +0.042 C 
ATOM     27  C   LIG    1       -3.789   0.527   1.781  0.00  0.00    -0.026 A 
ATOM     28  C   LIG    1       -3.536   0.856   3.122  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -2.385   1.558   3.470  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -1.484   1.942   2.482  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -1.731   1.614   1.147  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1       -4.017   1.472  -2.644  0.00  0.00    +0.024 A 
ATOM     33  C   LIG    1       -2.879   0.895   0.777  0.00  0.00    +0.037 A 
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10