REMARK  Name = BDB000514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.900   1.292  -1.519  0.00  0.00    -0.492 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -2.025   0.991  -0.801  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1       -3.215   1.438  -1.388  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -4.417   1.191  -0.746  0.00  0.00    -0.040 A 
ATOM      5  C   LIG    1       -5.793   1.558  -1.204  0.00  0.00    +0.036 C 
ATOM      6  C   LIG    1       -6.587   1.401   0.102  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -5.874   0.308   0.935  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1       -4.457   0.484   0.458  0.00  0.00    -0.040 A 
ATOM      9  C   LIG    1       -3.291   0.028   1.049  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -2.070   0.286   0.412  0.00  0.00    +0.046 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -6.385  -1.101   0.643  0.00  0.00    +0.128 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -7.720  -1.327   1.302  0.00  0.00    +0.305 C 
ATOM     13  O   LIG    1       -8.793  -1.161   0.745  0.00  0.00    -0.251 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -7.625  -1.710   2.595  0.00  0.00    -0.481 OA
ATOM     15  H   LIG    1       -6.710  -1.810   2.918  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        0.380   1.031  -0.941  0.00  0.00    +0.232 C 
BRANCH  16  17
ATOM     17  C   LIG    1        0.854  -0.372  -1.316  0.00  0.00    +0.082 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.191  -0.718  -0.670  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.174   0.217  -1.111  0.00  0.00    -0.492 OA
BRANCH  19  25
ATOM     20  C   LIG    1        9.649   0.310   0.778  0.00  0.00    +0.070 C 
ATOM     21  C   LIG    1        8.321  -0.339   0.865  0.00  0.00    +0.088 A 
ATOM     22  C   LIG    1        7.119   0.040   0.215  0.00  0.00    +0.044 A 
ATOM     23  C   LIG    1        6.201  -0.901   0.644  0.00  0.00    +0.171 A 
ATOM     24  C   LIG    1        4.860  -0.934   0.262  0.00  0.00    +0.095 A 
ATOM     25  C   LIG    1        4.444   0.071  -0.617  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        5.350   1.040  -1.073  0.00  0.00    +0.046 A 
ATOM     27  O   LIG    1        6.813  -1.775   1.487  0.00  0.00    -0.354 OA
ATOM     28  C   LIG    1        6.694   1.043  -0.668  0.00  0.00    +0.017 A 
ATOM     29  N   LIG    1        8.147  -1.426   1.630  0.00  0.00    -0.082 NA
ENDBRANCH  19  25
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 9