REMARK  Name = BDB047800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.699  -0.492   0.843  0.00  0.00    -0.009 A 
ATOM      2  C   LIG    1       -1.488  -1.360   0.074  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -2.829  -1.064  -0.216  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -3.364   0.138   0.280  0.00  0.00    +0.017 A 
ATOM      5  C   LIG    1       -2.596   1.038   1.041  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1       -1.259   0.705   1.309  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.652  -1.985  -1.018  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1       -4.893  -2.445  -0.547  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -5.674  -3.320  -1.308  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.226  -3.749  -2.555  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.999  -3.304  -3.041  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.220  -2.430  -2.279  0.00  0.00    +0.008 A 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  C   LIG    1       -3.177   2.297   1.536  0.00  0.00    -0.018 A 
ATOM     14  C   LIG    1       -3.131   2.629   2.901  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -3.684   3.823   3.371  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.292   4.707   2.484  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.347   4.399   1.127  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -3.795   3.203   0.658  0.00  0.00    +0.008 A 
ENDBRANCH   5  13
BRANCH   1  19
ATOM     19  C   LIG    1        0.746  -0.825   1.124  0.00  0.00    +0.264 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.526  -0.358   0.027  0.00  0.00    -0.487 OA
BRANCH  20  24
ATOM     21  C   LIG    1        5.678  -0.802  -0.021  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1        4.991  -0.144  -1.039  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        3.598  -0.022  -0.975  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        2.877  -0.551   0.098  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        3.563  -1.211   1.114  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1        4.956  -1.335   1.050  0.00  0.00    +0.049 A 
BRANCH  21  27
ATOM     27  O   LIG    1        7.028  -1.000   0.053  0.00  0.00    -0.481 OA
BRANCH  27  28
ATOM     28  C   LIG    1        7.848  -0.400  -0.937  0.00  0.00    +0.349 C 
BRANCH  28  30
ATOM     29  O   LIG    1        7.959   1.901  -1.753  0.00  0.00    -0.247 OA
ATOM     30  C   LIG    1        8.011   1.107  -0.826  0.00  0.00    +0.343 C 
BRANCH  30  31
ATOM     31  O   LIG    1        8.270   1.533   0.426  0.00  0.00    -0.478 OA
ATOM     32  H   LIG    1        8.330   2.508   0.348  0.00  0.00    +0.295 HD
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  21  27
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9