REMARK  Name = BDB047549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.913   0.839   0.584  0.00  0.00    +0.059 C 
ATOM      2  C   LIG    1       -3.674  -0.030   0.548  0.00  0.00    -0.038 A 
ATOM      3  C   LIG    1       -2.535   0.741   0.287  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -1.266   0.176   0.247  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1       -1.140  -1.197   0.465  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -2.283  -1.968   0.736  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -2.889   2.184   0.126  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -3.555  -1.389   0.787  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -4.388   2.081  -0.177  0.00  0.00    +0.016 C 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -6.170   0.221  -0.055  0.00  0.00    +0.233 C 
BRANCH  10  12
ATOM     11  C   LIG    1       -7.632  -1.643   0.159  0.00  0.00    +0.195 C 
ATOM     12  O   LIG    1       -6.676  -0.812   0.804  0.00  0.00    -0.368 OA
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1       -7.215   1.314  -0.283  0.00  0.00    +0.334 C 
ATOM     14  O   LIG    1       -7.572   1.743  -1.370  0.00  0.00    -0.248 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -7.750   1.809   0.851  0.00  0.00    -0.479 OA
ATOM     16  H   LIG    1       -8.409   2.468   0.547  0.00  0.00    +0.295 HD
ENDBRANCH  13  15
ENDBRANCH  10  13
ENDBRANCH   1  10
BRANCH   5  17
ATOM     17  O   LIG    1        0.031  -1.907   0.454  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.226  -1.181   0.153  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.394  -2.162   0.174  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.668  -1.526  -0.240  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        4.426  -1.731  -1.373  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        4.313  -2.599  -2.558  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        5.516  -0.910  -1.303  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        5.362  -0.237  -0.118  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.270  -0.571   0.547  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.397   0.731   0.233  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.298   1.445   1.438  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        7.272   2.378   1.800  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.360   2.611   0.962  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.474   1.911  -0.238  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.499   0.978  -0.600  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 9