REMARK  Name = BDB046724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.629  -0.562   2.004  0.00  0.00    -0.489 OA
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1        5.598  -1.134   0.831  0.00  0.00    -0.046 A 
ATOM      3  C   LIG    1        5.250  -0.684   2.108  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.907  -0.511   2.451  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        2.891  -0.783   1.531  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1        3.235  -1.232   0.258  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        4.580  -1.407  -0.090  0.00  0.00    +0.007 A 
BRANCH   2   8
ATOM      8  C   LIG    1        7.050  -1.307   0.447  0.00  0.00    +0.061 C 
BRANCH   8   9
ATOM      9  C   LIG    1        7.573  -0.194  -0.470  0.00  0.00    +0.210 C 
BRANCH   9  10
ATOM     10  C   LIG    1        8.960  -0.522  -0.963  0.00  0.00    +0.321 C 
ATOM     11  O   LIG    1        9.496  -1.619  -0.865  0.00  0.00    -0.250 OA
BRANCH  10  13
ATOM     12  C   LIG    1       10.822   0.304  -2.128  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1        9.515   0.547  -1.601  0.00  0.00    -0.467 OA
ENDBRANCH  10  13
ENDBRANCH   9  10
BRANCH   9  14
ATOM     14  C   LIG    1        7.533   1.137   0.224  0.00  0.00    +0.319 C 
ATOM     15  O   LIG    1        6.898   2.115  -0.139  0.00  0.00    -0.250 OA
BRANCH  14  16
ATOM     16  O   LIG    1        8.290   1.201   1.337  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1        8.156   2.119   1.660  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  C   LIG    1        0.518  -0.842   1.153  0.00  0.00    +0.270 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.178   0.358   0.270  0.00  0.00    +0.270 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.929   0.074  -0.585  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.194   0.282  -0.114  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -3.208  -0.001  -1.032  0.00  0.00    +0.050 A 
ATOM     23  C   LIG    1       -4.580   0.155  -0.724  0.00  0.00    -0.035 A 
ATOM     24  C   LIG    1       -5.629  -0.172  -1.795  0.00  0.00    -0.009 C 
ATOM     25  C   LIG    1       -7.024   0.366  -1.407  0.00  0.00    +0.012 C 
ATOM     26  C   LIG    1       -7.368   0.065   0.042  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -6.389   0.749   1.022  0.00  0.00    -0.010 C 
ATOM     28  C   LIG    1       -6.702   2.259   1.110  0.00  0.00    +0.016 C 
ATOM     29  C   LIG    1       -6.650   0.118   2.411  0.00  0.00    +0.016 C 
ATOM     30  C   LIG    1       -5.689  -1.705  -1.977  0.00  0.00    +0.016 C 
ATOM     31  C   LIG    1       -5.277   0.466  -3.160  0.00  0.00    +0.016 C 
ATOM     32  C   LIG    1       -4.931   0.573   0.580  0.00  0.00    -0.038 A 
ATOM     33  C   LIG    1       -3.893   0.873   1.488  0.00  0.00    +0.008 A 
ATOM     34  C   LIG    1       -2.544   0.730   1.149  0.00  0.00    +0.046 A 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 11