REMARK  Name = BDB046134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.755   0.266  -1.835  0.00  0.00    -0.490 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        3.309  -0.615  -1.456  0.00  0.00    -0.044 A 
ATOM      3  C   LIG    1        2.409  -1.667  -1.669  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        1.039  -1.418  -1.804  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.552  -0.114  -1.723  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        1.448   0.937  -1.516  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.816   0.692  -1.382  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        4.783  -0.893  -1.276  0.00  0.00    +0.078 C 
BRANCH   8   9
ATOM      9  C   LIG    1        5.130  -1.295   0.161  0.00  0.00    +0.230 C 
BRANCH   9  10
ATOM     10  C   LIG    1        6.551  -1.858   0.178  0.00  0.00    +0.334 C 
ATOM     11  O   LIG    1        6.903  -2.878  -0.394  0.00  0.00    -0.248 OA
BRANCH  10  12
ATOM     12  O   LIG    1        7.400  -1.089   0.907  0.00  0.00    -0.479 OA
ATOM     13  H   LIG    1        6.882  -0.324   1.255  0.00  0.00    +0.295 HD
ENDBRANCH  10  12
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  O   LIG    1        5.132  -0.131   1.020  0.00  0.00    -0.365 OA
BRANCH  14  16
ATOM     15  C   LIG    1        4.091   1.131   2.759  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        4.068  -0.167   1.976  0.00  0.00    +0.157 C 
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  17
ATOM     17  C   LIG    1       -1.735  -0.771  -1.925  0.00  0.00    +0.248 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.148  -0.161  -1.934  0.00  0.00    +0.152 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -3.592   0.295  -0.593  0.00  0.00    -0.297 N 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.643   1.682  -0.320  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -2.866   2.635  -0.997  0.00  0.00    +0.023 A 
ATOM     22  C   LIG    1       -2.950   4.001  -0.699  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.822   4.451   0.287  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.608   3.534   0.974  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.516   2.171   0.671  0.00  0.00    +0.023 A 
ENDBRANCH  19  20
BRANCH  19  26
ATOM     26  C   LIG    1       -3.793  -0.735   0.363  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1       -3.214  -0.639   1.641  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -3.384  -1.646   2.594  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.144  -2.771   2.288  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.733  -2.885   1.032  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -4.559  -1.875   0.080  0.00  0.00    +0.023 A 
ENDBRANCH  19  26
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 12