REMARK  Name = BDB017153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.102  -0.492   0.248  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        3.994   0.292   1.437  0.00  0.00    -0.012 A 
ATOM      3  C   LIG    1        2.755   0.909   1.745  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        2.625   1.689   2.908  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        3.696   1.867   3.779  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        4.914   1.267   3.499  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.650   0.740   0.896  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1        1.741  -0.037  -0.258  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        5.059   0.491   2.347  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        2.964  -0.648  -0.568  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        5.549  -1.708  -1.544  0.00  0.00    +0.043 C 
ATOM     12  C   LIG    1        5.417  -1.174  -0.119  0.00  0.00    +0.142 C 
BRANCH  12  13
ATOM     13  O   LIG    1        5.656  -2.271   0.764  0.00  0.00    -0.387 OA
ATOM     14  H   LIG    1        4.841  -2.432   1.270  0.00  0.00    +0.210 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
BRANCH   8  15
ATOM     15  C   LIG    1        0.585  -0.262  -1.188  0.00  0.00    +0.167 C 
ATOM     16  O   LIG    1        0.744  -1.013  -2.149  0.00  0.00    -0.292 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -0.744   0.447  -0.938  0.00  0.00    +0.074 C 
ATOM     18  C   LIG    1       -1.883  -0.278  -1.673  0.00  0.00    +0.096 C 
ATOM     19  N   LIG    1       -3.215   0.305  -1.414  0.00  0.00    -0.299 NA
ATOM     20  C   LIG    1       -3.170   1.760  -1.188  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -2.005   2.437  -1.907  0.00  0.00    +0.016 C 
ATOM     22  C   LIG    1       -0.665   1.913  -1.391  0.00  0.00    +0.014 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.976  -0.395  -0.369  0.00  0.00    +0.057 C 
ATOM     24  C   LIG    1       -5.388   0.168  -0.144  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -6.090  -0.913   0.671  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -5.436  -2.230   0.261  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -4.301  -1.862  -0.693  0.00  0.00    +0.019 C 
ENDBRANCH  19  23
ENDBRANCH  15  17
ENDBRANCH   8  15
TORSDOF 5