REMARK  Name = BDB050800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.335  -1.241  -0.745  0.00  0.00    -0.036 A 
ATOM      2  C   LIG    1       -3.480  -1.452   0.652  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -2.328  -1.381   1.483  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -2.486  -1.572   2.874  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1       -3.729  -1.834   3.448  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -4.850  -1.917   2.640  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -1.056  -1.122   0.910  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1       -0.937  -0.941  -0.468  0.00  0.00    +0.046 A 
ATOM      9  C   LIG    1       -4.726  -1.731   1.262  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -2.062  -1.001  -1.284  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1       -4.515  -1.215  -1.699  0.00  0.00    +0.079 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.358   0.071  -1.610  0.00  0.00    +0.230 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -7.576   0.801  -2.083  0.00  0.00    +0.195 C 
ATOM     14  O   LIG    1       -6.608  -0.229  -2.240  0.00  0.00    -0.368 OA
ENDBRANCH  12  14
BRANCH  12  15
ATOM     15  C   LIG    1       -4.579   1.236  -2.254  0.00  0.00    +0.334 C 
ATOM     16  O   LIG    1       -4.751   1.650  -3.392  0.00  0.00    -0.248 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -3.668   1.808  -1.427  0.00  0.00    -0.479 OA
ATOM     18  H   LIG    1       -3.586   1.380  -0.550  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   7  19
ATOM     19  O   LIG    1       -0.002  -1.054   1.789  0.00  0.00    -0.491 OA
BRANCH  19  20
ATOM     20  C   LIG    1        1.325  -0.851   1.294  0.00  0.00    +0.235 C 
BRANCH  20  21
ATOM     21  C   LIG    1        1.625   0.639   1.143  0.00  0.00    +0.100 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.927   0.884   0.477  0.00  0.00    +0.086 A 
ATOM     23  C   LIG    1        3.197   1.511  -0.720  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1        2.380   2.155  -1.762  0.00  0.00    +0.088 C 
ATOM     25  O   LIG    1        4.550   1.490  -0.908  0.00  0.00    -0.440 OA
ATOM     26  C   LIG    1        5.040   0.846   0.198  0.00  0.00    +0.228 A 
ATOM     27  N   LIG    1        4.106   0.464   1.050  0.00  0.00    -0.214 NA
BRANCH  26  28
ATOM     28  C   LIG    1        6.488   0.673   0.276  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        7.049   0.019   1.384  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        8.431  -0.162   1.486  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        9.271   0.309   0.479  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        8.731   0.961  -0.628  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        7.348   1.141  -0.729  0.00  0.00    +0.013 A 
ENDBRANCH  26  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   7  19
TORSDOF 10