REMARK  Name = BDB047975
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.507   1.172   0.233  0.00  0.00    +0.114 C 
ATOM      2  C   LIG    1        1.276   1.930  -0.088  0.00  0.00    +0.201 C 
ATOM      3  O   LIG    1        1.118   3.133  -0.082  0.00  0.00    -0.286 OA
ATOM      4  C   LIG    1        0.254   0.943  -0.395  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        0.841  -0.303  -0.257  0.00  0.00    -0.005 A 
ATOM      6  C   LIG    1        0.084  -1.440  -0.478  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -1.264  -1.292  -0.844  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1       -1.841  -0.017  -0.985  0.00  0.00    +0.121 A 
ATOM      9  C   LIG    1       -1.069   1.123  -0.753  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1        2.246  -0.150   0.132  0.00  0.00    +0.008 C 
ENDROOT
BRANCH  10  11
ATOM     11  C   LIG    1        3.240  -1.215   0.303  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1        3.672  -1.948  -0.810  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        4.606  -2.975  -0.660  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.112  -3.278   0.603  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        4.686  -2.554   1.716  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.751  -1.528   1.567  0.00  0.00    +0.008 A 
ENDBRANCH  10  11
BRANCH   1  17
ATOM     17  C   LIG    1        3.791   1.796   0.554  0.00  0.00    +0.344 C 
ATOM     18  O   LIG    1        4.466   1.521   1.534  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1        4.109   2.684  -0.420  0.00  0.00    -0.461 OA
BRANCH  19  21
ATOM     20  C   LIG    1        6.492   2.578  -0.821  0.00  0.00    +0.048 C 
ATOM     21  C   LIG    1        5.346   3.386  -0.242  0.00  0.00    +0.229 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   8  22
ATOM     22  O   LIG    1       -3.136   0.249  -1.329  0.00  0.00    -0.492 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.022  -0.834  -1.628  0.00  0.00    +0.233 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.654  -1.430  -0.366  0.00  0.00    +0.076 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.702  -0.529   0.245  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1       -5.326   0.540   1.070  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -6.293   1.380   1.625  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -7.643   1.161   1.361  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -8.028   0.103   0.539  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.063  -0.737  -0.019  0.00  0.00    +0.004 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   8  22
TORSDOF 8