REMARK  Name = BDB047346
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.109   0.805  -1.166  0.00  0.00    +0.285 C 
ENDROOT
BRANCH   1   3
ATOM      2  O   LIG    1       -2.334   0.484  -3.251  0.00  0.00    -0.247 OA
ATOM      3  C   LIG    1       -1.364   0.944  -2.667  0.00  0.00    +0.346 C 
BRANCH   3   4
ATOM      4  O   LIG    1       -0.403   1.651  -3.314  0.00  0.00    -0.478 OA
ATOM      5  H   LIG    1        0.292   1.940  -2.683  0.00  0.00    +0.295 HD
ENDBRANCH   3   4
ENDBRANCH   1   3
BRANCH   1   6
ATOM      6  O   LIG    1        0.161   1.413  -0.848  0.00  0.00    -0.477 OA
BRANCH   6   7
ATOM      7  C   LIG    1        1.189   0.552  -0.570  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        2.087   0.981   0.408  0.00  0.00    +0.054 A 
ATOM      9  C   LIG    1        3.200   0.200   0.758  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1        3.417  -1.028   0.094  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        4.530  -1.810   0.443  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        5.417  -1.387   1.434  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.204  -0.177   2.087  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        2.519  -1.435  -0.905  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        4.102   0.613   1.752  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        1.415  -0.647  -1.242  0.00  0.00    +0.046 A 
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  17
ATOM     17  C   LIG    1       -2.194   1.570  -0.393  0.00  0.00    +0.091 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -3.191   0.639   0.256  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1       -4.303   0.177  -0.459  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -5.208  -0.704   0.135  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1       -5.007  -1.134   1.445  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.899  -0.686   2.162  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.993   0.195   1.571  0.00  0.00    +0.004 A 
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6