REMARK  Name = BDB047525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.026   2.255   1.623  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -5.168   0.632   0.011  0.00  0.00    +0.033 C 
ATOM      3  C   LIG    1       -3.802   0.924   0.582  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -3.184   1.960  -0.128  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -1.924   2.417   0.221  0.00  0.00    +0.049 A 
ATOM      6  C   LIG    1       -1.276   1.804   1.291  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -1.916   0.816   2.052  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -4.088   2.514  -1.184  0.00  0.00    +0.036 C 
ATOM      9  C   LIG    1       -3.194   0.375   1.704  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -5.099   1.372  -1.349  0.00  0.00    +0.013 C 
BRANCH   2  11
ATOM     11  C   LIG    1       -5.558  -0.858  -0.085  0.00  0.00    +0.105 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -7.986  -0.600   0.720  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -7.059  -1.051  -0.402  0.00  0.00    +0.012 C 
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -4.741  -1.618  -1.130  0.00  0.00    +0.308 C 
ATOM     15  O   LIG    1       -5.149  -1.918  -2.243  0.00  0.00    -0.251 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -3.497  -1.955  -0.725  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -3.264  -1.633   0.165  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        0.986   1.261   1.397  0.00  0.00    +0.235 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.517   1.349  -0.032  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.478   0.263  -0.338  0.00  0.00    +0.086 A 
ATOM     21  C   LIG    1        2.255  -0.961  -0.933  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1        1.074  -1.648  -1.484  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        3.451  -1.617  -1.003  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.351  -0.747  -0.442  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        3.812   0.384  -0.022  0.00  0.00    -0.214 NA
BRANCH  24  26
ATOM     26  C   LIG    1        5.746  -1.178  -0.391  0.00  0.00    +0.040 A 
ATOM     27  C   LIG    1        6.718  -0.305   0.132  0.00  0.00    +0.058 A 
ATOM     28  C   LIG    1        8.062  -0.681   0.191  0.00  0.00    +0.121 A 
ATOM     29  C   LIG    1        8.440  -1.941  -0.276  0.00  0.00    +0.045 A 
ATOM     30  C   LIG    1        7.489  -2.820  -0.796  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        6.149  -2.438  -0.854  0.00  0.00    +0.013 A 
BRANCH  28  32
ATOM     32  O   LIG    1        9.090   0.079   0.679  0.00  0.00    -0.495 OA
ATOM     33  C   LIG    1        8.763   1.392   1.122  0.00  0.00    +0.277 C 
ENDBRANCH  28  32
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10