REMARK  Name = BDB043247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.327   1.237   1.579  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -1.119   1.913   0.650  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -2.449   1.539   0.438  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -3.009   0.478   1.157  0.00  0.00    -0.044 A 
ATOM      5  C   LIG    1       -2.212  -0.192   2.095  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.879   0.182   2.302  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.953   1.705   1.685  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.830   1.007   2.576  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.210   1.661   2.519  0.00  0.00    +0.100 C 
BRANCH   9  12
ATOM     10  C   LIG    1        3.043   2.830  -0.642  0.00  0.00    +0.088 C 
ATOM     11  C   LIG    1        3.868   1.801   0.012  0.00  0.00    +0.126 A 
ATOM     12  C   LIG    1        3.964   1.294   1.290  0.00  0.00    +0.086 A 
ATOM     13  N   LIG    1        4.925   0.307   1.321  0.00  0.00    -0.214 NA
ATOM     14  C   LIG    1        5.372   0.247   0.080  0.00  0.00    +0.228 A 
ATOM     15  O   LIG    1        4.767   1.134  -0.772  0.00  0.00    -0.440 OA
BRANCH  14  16
ATOM     16  C   LIG    1        6.400  -0.620  -0.489  0.00  0.00    +0.037 A 
ATOM     17  C   LIG    1        7.056  -1.550   0.333  0.00  0.00    +0.013 A 
ATOM     18  C   LIG    1        8.044  -2.392  -0.184  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.389  -2.316  -1.531  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        7.749  -1.399  -2.362  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        6.760  -0.556  -1.844  0.00  0.00    +0.013 A 
ENDBRANCH  14  16
ENDBRANCH   9  12
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  22
ATOM     22  C   LIG    1       -4.446   0.055   0.925  0.00  0.00    +0.081 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.649  -1.002  -0.192  0.00  0.00    +0.171 C 
ATOM     24  O   LIG    1       -4.111  -0.563  -1.459  0.00  0.00    -0.360 OA
ATOM     25  C   LIG    1       -4.851   0.433  -2.169  0.00  0.00    +0.189 C 
ATOM     26  C   LIG    1       -6.078  -0.169  -2.844  0.00  0.00    +0.188 C 
ATOM     27  O   LIG    1       -7.259  -0.147  -2.051  0.00  0.00    -0.377 OA
ATOM     28  C   LIG    1       -7.132  -0.426  -0.665  0.00  0.00    +0.163 C 
ATOM     29  C   LIG    1       -6.111  -1.496  -0.301  0.00  0.00    +0.075 C 
BRANCH  23  30
ATOM     30  C   LIG    1       -3.827  -2.257   0.187  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1       -4.031  -2.956   1.171  0.00  0.00    -0.248 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -2.840  -2.520  -0.706  0.00  0.00    -0.479 OA
ATOM     33  H   LIG    1       -2.857  -1.803  -1.382  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  23  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 9