REMARK  Name = BDB000518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.018  -2.362  -0.223  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.208  -1.701  -0.078  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -2.372  -0.327   0.111  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -3.659   0.175   0.252  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -4.069   1.602   0.431  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -5.509   1.434   0.941  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -6.054   0.121   0.333  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1       -4.777  -0.663   0.192  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -4.631  -2.026   0.006  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -3.337  -2.539  -0.124  0.00  0.00    +0.046 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -6.735   0.318  -1.019  0.00  0.00    +0.128 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -8.073   0.972  -0.851  0.00  0.00    +0.305 C 
ATOM     13  O   LIG    1       -8.328   2.151  -1.033  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -9.028   0.116  -0.441  0.00  0.00    -0.481 OA
ATOM     15  H   LIG    1       -9.835   0.668  -0.378  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        0.189  -1.601  -0.300  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.760  -1.365   1.097  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.008  -0.490   1.067  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.006  -1.133   0.277  0.00  0.00    -0.492 OA
BRANCH  19  25
ATOM     20  C   LIG    1        8.890   2.106  -0.537  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1        8.039   0.933  -0.845  0.00  0.00    -0.005 A 
ATOM     22  C   LIG    1        6.715   0.676  -0.376  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        6.338  -0.539  -0.932  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1        5.104  -1.148  -0.719  0.00  0.00    +0.092 A 
ATOM     25  C   LIG    1        4.198  -0.477   0.111  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        4.541   0.748   0.692  0.00  0.00    +0.046 A 
ATOM     27  O   LIG    1        7.341  -1.035  -1.705  0.00  0.00    -0.463 OA
ATOM     28  C   LIG    1        5.796   1.338   0.457  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        8.363  -0.143  -1.648  0.00  0.00    +0.199 A 
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9