REMARK  Name = BDB047979
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.951   0.502  -0.474  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1       -1.570   1.020  -0.584  0.00  0.00    +0.201 C 
ATOM      3  O   LIG    1       -1.205   2.104  -0.992  0.00  0.00    -0.286 OA
ATOM      4  C   LIG    1       -0.692  -0.044  -0.124  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -1.503  -1.112   0.223  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1       -0.925  -2.280   0.685  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1        0.472  -2.331   0.789  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        1.282  -1.230   0.438  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1        0.690  -0.061  -0.034  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -2.909  -0.760   0.005  0.00  0.00    +0.008 C 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1       -4.087  -1.575   0.323  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1       -4.903  -2.090  -0.691  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -6.014  -2.875  -0.373  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.313  -3.155   0.959  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.503  -2.650   1.975  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.394  -1.864   1.659  0.00  0.00    +0.008 A 
ENDBRANCH  10  11
BRANCH   1  17
ATOM     17  C   LIG    1       -4.144   1.286  -0.793  0.00  0.00    +0.344 C 
ATOM     18  O   LIG    1       -5.033   0.917  -1.545  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -4.108   2.451  -0.100  0.00  0.00    -0.461 OA
BRANCH  19  21
ATOM     20  C   LIG    1       -6.350   2.985   0.636  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1       -5.217   3.335  -0.310  0.00  0.00    +0.229 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   8  22
ATOM     22  O   LIG    1        2.622  -1.449   0.594  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.526  -0.358   0.399  0.00  0.00    +0.229 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.971  -0.288  -1.062  0.00  0.00    +0.046 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.860   0.921  -1.360  0.00  0.00    +0.038 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.176   0.906  -0.623  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1        6.427   1.827   0.403  0.00  0.00    +0.003 A 
ATOM     28  C   LIG    1        7.642   1.806   1.090  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        8.617   0.867   0.758  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.379  -0.051  -0.263  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.165  -0.032  -0.951  0.00  0.00    +0.003 A 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 9