REMARK  Name = BDB047546
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.132  -0.538   2.275  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -5.308  -0.968   0.064  0.00  0.00    +0.033 C 
ATOM      3  C   LIG    1       -3.876  -0.946   0.534  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -3.708   0.005   1.548  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.482   0.187   2.176  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -1.401  -0.596   1.766  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -1.577  -1.558   0.757  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -4.998   0.697   1.858  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -2.817  -1.745   0.140  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -5.812   0.397   0.592  0.00  0.00    +0.013 C 
BRANCH   2  11
ATOM     11  C   LIG    1       -5.550  -1.238  -1.433  0.00  0.00    +0.105 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -7.349  -1.714  -3.176  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -7.047  -1.167  -1.786  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -4.762  -0.294  -2.319  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -4.994   0.886  -2.527  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -3.724  -0.901  -2.928  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -3.290  -0.180  -3.432  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   2  11
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        0.162   0.537   3.168  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.649   0.509   3.524  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.541   0.889   2.393  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        2.666   2.091   1.727  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        2.018   3.410   1.821  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        3.629   1.944   0.769  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.054   0.648   0.909  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        3.443  -0.013   1.873  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.103   0.194  -0.001  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        5.663   1.036  -0.973  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        6.673   0.586  -1.844  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1        7.238   1.534  -2.867  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        7.133  -0.741  -1.739  0.00  0.00    -0.047 A 
ATOM     31  C   LIG    1        8.210  -1.273  -2.645  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1        6.574  -1.584  -0.769  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1        5.572  -1.121   0.087  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9