REMARK  Name = BDB047520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.777  -1.482   1.960  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -5.801   0.127  -0.069  0.00  0.00    +0.033 C 
ATOM      3  C   LIG    1       -4.526  -0.304   0.613  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -3.442  -0.231  -0.268  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -2.162  -0.611   0.119  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -1.968  -1.074   1.422  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -3.062  -1.164   2.300  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -3.873   0.223  -1.626  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -4.348  -0.790   1.899  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -5.250   0.834  -1.331  0.00  0.00    +0.013 C 
BRANCH   2  11
ATOM     11  C   LIG    1       -6.810   0.896   0.813  0.00  0.00    +0.105 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -5.671   3.246   0.952  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -6.316   2.076   1.677  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -8.037   1.305   0.022  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -8.097   1.615  -1.155  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -9.153   1.320   0.781  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -9.857   1.608   0.162  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        0.379  -1.381   1.123  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.588  -1.852   1.927  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.829  -1.859   1.115  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        3.510  -2.917   0.552  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        3.330  -4.378   0.513  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        4.596  -2.412  -0.107  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.519  -1.058   0.092  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        3.478  -0.682   0.812  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.567  -0.238  -0.511  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        6.601  -0.806  -1.272  0.00  0.00    +0.059 A 
ATOM     28  C   LIG    1        7.559   0.032  -1.807  0.00  0.00    +0.124 A 
ATOM     29  O   LIG    1        8.614  -0.394  -2.574  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1        9.471   0.771  -2.647  0.00  0.00    +0.234 C 
ATOM     31  C   LIG    1        8.639   2.025  -2.372  0.00  0.00    +0.080 C 
ATOM     32  C   LIG    1        7.524   1.404  -1.624  0.00  0.00    -0.002 A 
ATOM     33  C   LIG    1        6.515   1.996  -0.889  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1        5.538   1.164  -0.329  0.00  0.00    +0.014 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 9