REMARK  Name = BDB045509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.349  -1.244   0.298  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.778   0.086   0.449  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1        2.043   1.121  -0.134  0.00  0.00    +0.023 A 
ATOM      4  C   LIG    1        0.872   0.820  -0.837  0.00  0.00    +0.060 A 
ATOM      5  C   LIG    1        0.087   1.904  -1.459  0.00  0.00    +0.179 C 
ATOM      6  C   LIG    1       -1.140   1.376  -1.918  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -1.770   0.076  -1.859  0.00  0.00    +0.219 C 
ATOM      8  O   LIG    1       -0.707  -0.908  -1.660  0.00  0.00    -0.482 OA
ATOM      9  O   LIG    1        0.414   3.069  -1.577  0.00  0.00    -0.291 OA
ATOM     10  C   LIG    1        0.420  -0.510  -0.966  0.00  0.00    +0.135 A 
ATOM     11  C   LIG    1        1.169  -1.541  -0.400  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.811  -0.076  -0.768  0.00  0.00    -0.006 A 
ATOM     13  C   LIG    1       -3.095  -1.334  -0.224  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -4.067  -1.486   0.777  0.00  0.00    +0.051 A 
ATOM     15  C   LIG    1       -4.821  -0.417   1.286  0.00  0.00    +0.179 A 
ATOM     16  O   LIG    1       -5.696  -0.564   2.200  0.00  0.00    -0.288 OA
ATOM     17  C   LIG    1       -4.535   0.827   0.699  0.00  0.00    +0.051 A 
ATOM     18  C   LIG    1       -3.568   1.005  -0.304  0.00  0.00    +0.011 A 
ENDBRANCH   7  12
BRANCH   1  20
ATOM     19  C   LIG    1        3.925  -2.891  -0.001  0.00  0.00    +0.252 C 
ATOM     20  O   LIG    1        3.037  -2.268   0.909  0.00  0.00    -0.472 OA
ENDBRANCH   1  20
BRANCH   2  21
ATOM     21  C   LIG    1        3.962   0.407   1.186  0.00  0.00    +0.054 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.250   0.742   1.969  0.00  0.00    -0.030 C 
ATOM     23  C   LIG    1        6.336   1.019   2.620  0.00  0.00    -0.048 C 
ATOM     24  C   LIG    1        7.291   2.105   2.102  0.00  0.00    +0.026 C 
ATOM     25  C   LIG    1        6.678   0.260   3.910  0.00  0.00    +0.026 C 
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 4