REMARK  Name = BDB047559
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.014  -0.938   1.759  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.144  -0.987   1.030  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -2.280  -1.323   1.771  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -3.508  -1.393   1.129  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -4.816  -1.802   1.725  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -5.808  -1.331   0.653  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -5.052  -1.325  -0.697  0.00  0.00    +0.033 C 
ATOM      8  C   LIG    1       -3.625  -1.139  -0.240  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -2.499  -0.836  -0.990  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -1.257  -0.750  -0.348  0.00  0.00    +0.046 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -5.535  -0.354  -1.800  0.00  0.00    +0.105 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -6.989  -0.609  -2.174  0.00  0.00    +0.308 C 
ATOM     13  O   LIG    1       -7.850  -1.033  -1.421  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -7.268  -0.303  -3.465  0.00  0.00    -0.480 OA
ATOM     15  H   LIG    1       -6.509   0.038  -3.974  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  C   LIG    1       -5.281   1.159  -1.634  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -5.890   1.837  -0.420  0.00  0.00    +0.004 C 
ENDBRANCH  11  16
ENDBRANCH   7  11
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        1.201  -0.541   1.068  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.349  -0.518   2.073  0.00  0.00    +0.100 C 
BRANCH  19  21
ATOM     20  C   LIG    1        4.278   1.178   1.729  0.00  0.00    +0.129 A 
ATOM     21  C   LIG    1        3.603   0.003   1.475  0.00  0.00    +0.086 A 
ATOM     22  N   LIG    1        4.269  -0.707   0.502  0.00  0.00    -0.214 NA
ATOM     23  C   LIG    1        5.314   0.044   0.205  0.00  0.00    +0.228 A 
ATOM     24  O   LIG    1        5.376   1.214   0.917  0.00  0.00    -0.440 OA
BRANCH  23  25
ATOM     25  C   LIG    1        6.381  -0.200  -0.762  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        6.379  -1.385  -1.513  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        7.386  -1.646  -2.446  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        8.410  -0.722  -2.640  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.429   0.461  -1.903  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.421   0.720  -0.970  0.00  0.00    +0.013 A 
ENDBRANCH  23  25
BRANCH  20  32
ATOM     31  C   LIG    1        3.123   3.353   2.022  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1        4.070   2.332   2.632  0.00  0.00    +0.073 C 
ENDBRANCH  20  32
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10