REMARK  Name = BDB046249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.505   0.625   0.509  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -2.322   0.139  -0.538  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1       -2.120  -1.208  -0.931  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -1.224  -2.080  -0.287  0.00  0.00    -0.041 A 
ATOM      5  C   LIG    1       -0.517  -1.571   0.810  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1       -0.639  -0.234   1.219  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.389   1.000  -1.265  0.00  0.00    -0.009 C 
ATOM      8  C   LIG    1       -2.697   1.894  -2.312  0.00  0.00    +0.015 C 
ATOM      9  C   LIG    1       -4.445   0.151  -2.026  0.00  0.00    +0.015 C 
ATOM     10  C   LIG    1       -4.210   1.881  -0.292  0.00  0.00    +0.015 C 
ENDBRANCH   2   7
BRANCH   4  11
ATOM     11  C   LIG    1       -1.018  -3.543  -0.723  0.00  0.00    -0.013 C 
ATOM     12  C   LIG    1       -1.831  -3.949  -1.973  0.00  0.00    +0.015 C 
ATOM     13  C   LIG    1        0.472  -3.779  -1.058  0.00  0.00    +0.015 C 
ATOM     14  C   LIG    1       -1.437  -4.489   0.422  0.00  0.00    +0.015 C 
ENDBRANCH   4  11
BRANCH   6  15
ATOM     15  C   LIG    1        0.115   0.177   2.430  0.00  0.00    -0.040 C 
ATOM     16  C   LIG    1        1.461   0.245   2.489  0.00  0.00    +0.004 C 
ATOM     17  C   LIG    1       -0.743   0.498   3.626  0.00  0.00    +0.044 C 
BRANCH  16  18
ATOM     18  C   LIG    1        2.389  -0.005   1.401  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1        3.723   0.041   1.554  0.00  0.00    +0.003 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.721  -0.204   0.511  0.00  0.00    -0.044 C 
ATOM     21  C   LIG    1        6.026  -0.138   0.843  0.00  0.00    +0.094 C 
ATOM     22  C   LIG    1        4.228  -0.510  -0.884  0.00  0.00    +0.044 C 
BRANCH  21  23
ATOM     23  C   LIG    1        7.130  -0.409  -0.096  0.00  0.00    +0.330 C 
ATOM     24  O   LIG    1        7.223  -1.403  -0.792  0.00  0.00    -0.246 OA
BRANCH  23  25
ATOM     25  O   LIG    1        8.041   0.583  -0.069  0.00  0.00    -0.478 OA
ATOM     26  H   LIG    1        7.777   1.353   0.469  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  19  20
ENDBRANCH  16  18
ENDBRANCH   6  15
BRANCH   1  27
ATOM     27  O   LIG    1       -1.602   1.948   0.874  0.00  0.00    -0.491 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -0.442   2.699   0.488  0.00  0.00    +0.229 C 
BRANCH  28  30
ATOM     29  C   LIG    1        0.348   5.057   0.074  0.00  0.00    +0.007 C 
ATOM     30  C   LIG    1       -0.823   4.177   0.472  0.00  0.00    +0.038 C 
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 10