REMARK  Name = BDB057154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.222  -3.760   1.918  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1        0.523  -5.829   2.973  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -0.395  -5.078   2.676  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -1.681  -5.346   3.014  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1       -2.262  -4.625   2.684  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1       -1.559  -3.259   1.698  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1       -1.706  -1.928   1.425  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -2.772  -1.611   0.582  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -2.995  -0.289   0.186  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.168   0.748   0.641  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1       -1.131   0.419   1.529  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -0.907  -0.904   1.927  0.00  0.00    +0.046 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -2.371   2.135   0.197  0.00  0.00    -0.018 A 
ATOM     14  C   LIG    1       -2.542   3.176   1.124  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1       -2.721   4.495   0.699  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -2.729   4.796  -0.661  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.563   3.778  -1.597  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -2.387   2.459  -1.171  0.00  0.00    +0.008 A 
ENDBRANCH  10  13
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  19
ATOM     19  C   LIG    1        0.501  -4.060   0.592  0.00  0.00    +0.091 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.120  -2.828  -0.030  0.00  0.00    -0.043 A 
ATOM     21  C   LIG    1        0.513  -2.200  -1.123  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        1.022  -0.998  -1.621  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        2.157  -0.400  -1.052  0.00  0.00    -0.018 A 
ATOM     24  C   LIG    1        2.789  -1.064   0.011  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.278  -2.263   0.518  0.00  0.00    +0.004 A 
BRANCH  23  26
ATOM     26  C   LIG    1        2.648   0.899  -1.536  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        1.797   2.017  -1.567  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        2.252   3.256  -2.020  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        3.568   3.399  -2.450  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        4.428   2.304  -2.426  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        3.971   1.064  -1.972  0.00  0.00    +0.008 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 8